Number of items: 188.
Das, Banshi ; Chandra, Amalendu
(2022)
Ab Initio Molecular Dynamics Study of Aqueous Solutions of Magnesium and Calcium Nitrates: Hydration Shell Structure, Dynamics and Vibrational Echo Spectroscopy
The Journal of Physical Chemistry B, 126
(2).
pp. 528-544.
ISSN 1520-6106
Dutta, Saheb ; Panthi, Bhavana ; Chandra, Amalendu
(2022)
All-Atom Simulations of Human ACE2-Spike Protein RBD Complexes for SARS-CoV-2 and Some of its Variants: Nature of Interactions and Free Energy Diagrams for Dissociation of the Protein Complexes
The Journal of Physical Chemistry B, 126
(29).
pp. 5375-5389.
ISSN 1520-6106
Das, Banshi ; Chandra, Amalendu
(2022)
Effects of stearyl alcohol monolayer on the structure, dynamics and vibrational sum frequency generation spectroscopy of interfacial water
Physical Chemistry Chemical Physics, 24
(12).
pp. 7374-7386.
ISSN 1463-9076
Dutta, Saheb ; Chandra, Amalendu
(2022)
Free Energy Landscape of the Adenylation Reaction of the Aminoacylation Process at the Active Site of Aspartyl tRNA Synthetase
The Journal of Physical Chemistry B, 126
(31).
pp. 5821-5831.
ISSN 1520-6106
Soniya, Kumari ; Chandra, Amalendu
(2021)
Free Energy Landscape and Proton Transfer Pathways of the Transimination Reaction at the Active site of the Serine Hydroxymethyltransferase Enzyme in Aqueous Medium
The Journal of Physical Chemistry B, 125
(43).
pp. 11848-11856.
ISSN 1520-6106
Sorout, Nidhi ; Chandra, Amalendu
(2021)
Interactions of the Aβ(1–42) Peptide with Boron Nitride Nanoparticles of Varying Curvature in an Aqueous Medium: Different Pathways to Inhibit β-Sheet Formation
The Journal of Physical Chemistry B, 125
(40).
pp. 11159-11178.
ISSN 1520-6106
Dutta Banik, Sindrila ; Bankura, Arindam ; Chandra, Amalendu
(2020)
AQM/MMsimulation study of transamination reaction at the active site of aspartate aminotransferase: Free energy landscape and proton transfer pathways
Journal of Computational Chemistry, 41
(32).
pp. 2684-2694.
ISSN 0192-8651
Sharma, Bikramjit ; Chandra, Amalendu
(2020)
Dynamics of Water in the Solvation Shell of an Iodate Ion: A Born–Oppenheimer Molecular Dynamics Study
The Journal of Physical Chemistry B, 124
(13).
pp. 2618-2631.
ISSN 1520-6106
Sorout, Nidhi ; Chandra, Amalendu
(2020)
Effects of Boron Nitride Nanotube on the Secondary Structure of Aβ(1–42) Trimer: Possible Inhibitory Effect on Amyloid Formation
The Journal of Physical Chemistry B, 124
(10).
pp. 1928-1940.
ISSN 1520-6106
Yadav, Sushma ; Chandra, Amalendu
(2020)
Solvation Shell of the Nitrite Ion in Water: An Ab Initio Molecular Dynamics Study
The Journal of Physical Chemistry B, 124
(33).
pp. 7194-7204.
ISSN 1520-6106
Yadav, Sushma ; Chandra, Amalendu
(2020)
Transport of hydrated nitrate and nitrite ions through graphene nanopores in aqueous medium
Journal of Computational Chemistry, 41
(20).
pp. 1850-1858.
ISSN 0192-8651
Das, Banshi ; Mondal, Subhadip ; Chandra, Amalendu
(2020)
Two-Dimensional Infrared Spectroscopy of Aqueous Solutions of Metal Nitrates: Slowdown of Spectral Diffusion in the Presence of Divalent Cations
The Journal of Physical Chemistry B, 124
(34).
pp. 7391-7404.
ISSN 1520-6106
Ojha, Deepak ; Chandra, Amalendu
(2020)
Two-dimensional infrared spectroscopy of aqueous solutions from first principles simulations
Chemical Physics Letters, 751
.
p. 137493.
ISSN 00092614
Sharma, Bikramjit ; Chandra, Amalendu
(2019)
Conformation-Induced Dynamical Heterogeneity of Water in the Solvation Shell of Zwitterionic γ-Aminobutyric Acid
The Journal of Physical Chemistry B, 123
(38).
pp. 7937-7946.
ISSN 1520-6106
Choudhary, Ashu ; Chandra, Amalendu
(2019)
Spatially resolved structure and dynamics of the hydration shell of pyridine in sub- and supercritical water
Journal of Molecular Liquids, 287
.
p. 110881.
ISSN 01677322
Ojha, Deepak ; Chandra, Amalendu
(2019)
Temperature dependence of the ultrafast vibrational echo spectroscopy of OD modes in liquid water from first principles simulations
Physical Chemistry Chemical Physics, 21
(12).
pp. 6485-6498.
ISSN 1463-9076
Soniya, Kumari ; Awasthi, Shalini ; Nair, Nisanth N. ; Chandra, Amalendu
(2019)
Transimination Reaction at the Active Site of Aspartate Aminotransferase: A Proton Hopping Mechanism through Pyridoxal 5′-Phosphate
ACS Catalysis, 9
(7).
pp. 6276-6283.
ISSN 2155-5435
Ojha, Deepak ; Chandra, Amalendu
(2019)
Urea in Water: Structure, Dynamics, and Vibrational Echo Spectroscopy from First-Principles Simulations
The Journal of Physical Chemistry B, 123
(15).
pp. 3325-3336.
ISSN 1520-6106
Ojha, Deepak ; Chandra, Amalendu
(2019)
Vibrational echo spectroscopy of aqueous sodium bromide solutions from first principles simulations
Journal of Computational Chemistry, 40
(24).
pp. 2086-2095.
ISSN 0192-8651
Kayal, Abhijit ; Chandra, Amalendu
(2019)
Water in Confinement between Nanowalls: Results for Hexagonal Boron Nitride versus Graphene Sheets from Ab Initio Molecular Dynamics
The Journal of Physical Chemistry C, 123
(10).
pp. 6130-6140.
ISSN 1932-7447
Choudhary, Ashu ; Chandra, Amalendu
(2019)
An ab initio molecular dynamics study of benzene in water at supercritical conditions: Structure, dynamics, and polarity of hydration shell water and the solute
The Journal of Chemical Physics, 151
(4).
044508.
ISSN 0021-9606
Sharma, Bikramjit ; Chandra, Amalendu
(2018)
Born–Oppenheimer Molecular Dynamics Simulations of a Bromate Ion in Water Reveal Its Dual Kosmotropic and Chaotropic Behavior
The Journal of Physical Chemistry B, 122
(7).
pp. 2090-2101.
ISSN 1520-6106
Yadav, Vivek Kumar ; Chandra, Amalendu
(2018)
Dynamics of vibrational frequency fluctuations in deuterated liquid ammonia: roles of fluctuating hydrogen bonds and free ND modes
Molecular Simulation, 44
(15).
pp. 1210-1219.
ISSN 0892-7022
Karmakar, Anwesa ; Chandra, Amalendu
(2018)
Dynamics of vibrational spectral diffusion in water: Effects of dispersion interactions, temperature, density, system size and fictitious orbital mass
Journal of Molecular Liquids, 249
.
pp. 169-178.
ISSN 01677322
Choudhary, Ashu ; Chandra, Amalendu
(2018)
Dynamics of water in conical solvation shells around a benzene solute under different thermodynamic conditions
Physical Chemistry Chemical Physics, 20
(27).
pp. 18328-18339.
ISSN 1463-9076
Roy Choudhuri, Jyoti ; Chandra, Amalendu
(2018)
Effects of dispersion interactions on the structure, polarity, and dynamics of liquid-vapor interface of an aqueous NaCl solution: Results of first principles simulations at room temperature
The Journal of Chemical Physics, 148
(2).
024702.
ISSN 0021-9606
Das, Banshi ; Sharma, Bikramjit ; Chandra, Amalendu
(2018)
Effects of tert-Butyl Alcohol on Water at the Liquid–Vapor Interface: Structurally Bulk-like but Dynamically Slow Interfacial Water
The Journal of Physical Chemistry C, 122
(17).
pp. 9374-9388.
ISSN 1932-7447
Soniya, Kumari ; Chandra, Amalendu
(2018)
Free energy landscapes of prototropic tautomerism in pyridoxal 5′-phosphate schiff bases at the active site of an enzyme in aqueous medium
Journal of Computational Chemistry, 39
(21).
pp. 1629-1638.
ISSN 01928651
Sharma, Bikramjit ; Chandra, Amalendu
(2018)
Nature of hydration shells of a polyoxy-anion with a large cationic centre: The case of iodate ion in water
Journal of Computational Chemistry, 39
(19).
pp. 1226-1235.
ISSN 01928651
Sharma, Bikramjit ; Chandra, Amalendu
(2018)
On the issue of closed versus open forms of gamma-aminobutyric acid (GABA) in water: Ab initio molecular dynamics and metadynamics studies
The Journal of Chemical Physics, 148
(19).
p. 194503.
ISSN 0021-9606
Yadav, Sushma ; Chandra, Amalendu
(2018)
Structural and Dynamical Nature of Hydration Shells of the Carbonate Ion in Water: An Ab Initio Molecular Dynamics Study
The Journal of Physical Chemistry B, 122
(4).
pp. 1495-1504.
ISSN 1520-6106
Karmakar, Anwesa ; Chandra, Amalendu
(2018)
Water under Supercritical Conditions: Hydrogen Bonds, Polarity, and Vibrational Frequency Fluctuations from Ab Initio Simulations with a Dispersion Corrected Density Functional
ACS Omega, 3
(3).
pp. 3453-3462.
ISSN 2470-1343
Sharma, Bikramjit ; Chandra, Amalendu
(2017)
Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity
The Journal of Physical Chemistry B, 121
(46).
pp. 10519-10529.
ISSN 1520-6106
Yadav, Sushma ; Choudhary, Ashu ; Chandra, Amalendu
(2017)
A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution
The Journal of Physical Chemistry B, 121
(38).
pp. 9032-9044.
ISSN 1520-6106
Kayal, Abhijit ; Chandra, Amalendu
(2017)
Infrared Spectral and Dynamical Properties of Water Confined in Nanobubbles at Hybrid Interfaces of Diamond and Graphene: A Molecular Dynamics Study
The Journal of Physical Chemistry C, 121
(42).
pp. 23455-23462.
ISSN 1932-7447
Kayal, Abhijit ; Chandra, Amalendu
(2017)
Orientational order and dynamics of interfacial water near a hexagonal boron-nitride sheet: An ab initio molecular dynamics study
The Journal of Chemical Physics, 147
(16).
p. 164704.
ISSN 0021-9606
Yadav, Sushma ; Chandra, Amalendu
(2017)
Preferential solvation, ion pairing, and dynamics of concentrated aqueous solutions of divalent metal nitrate salts
The Journal of Chemical Physics, 147
(24).
p. 244503.
ISSN 0021-9606
Ojha, Deepak ; Chandra, Amalendu
(2017)
Vibrational echo spectral observables and frequency fluctuations of hydration shell water around a fluoride ion from first principles simulations
Journal of Chemical Sciences, 129
(7).
pp. 1069-1080.
ISSN 0974-3626
Choudhary, Ashu ; Chandra, Amalendu
(2016)
Anisotropic structure and dynamics of the solvation shell of a benzene solute in liquid water from ab initio molecular dynamics simulations
Physical Chemistry Chemical Physics, 18
(8).
pp. 6132-6145.
ISSN 1463-9076
Karmakar, Anwesa ; Chandra, Amalendu
(2015)
Ab initio molecular dynamics studies of hydrogen bonded structure, molecular motion, and frequency fluctuations of water in the vicinity of azide ions
The Journal of Chemical Physics, 142
(16).
p. 164505.
ISSN 0021-9606
Karmakar, Anwesa ; Chandra, Amalendu
(2015)
Effects of dispersion interaction on vibrational spectral diffusion in aqueous NaBr solutions: An ab initio molecular dynamics study
Chemical Physics, 448
.
pp. 1-8.
ISSN 03010104
Kayal, Abhijit ; Chandra, Amalendu
(2015)
Exploring the structure and dynamics of nano-confined water molecules using molecular dynamics simulations
Molecular Simulation, 41
(5-6).
pp. 463-470.
ISSN 0892-7022
Yadav, Vivek Kumar ; Chandra, Amalendu
(2015)
First-Principles Simulation Study of Vibrational Spectral Diffusion and Hydrogen Bond Fluctuations in Aqueous Solution of N-Methylacetamide
The Journal of Physical Chemistry B, 119
(30).
pp. 9858-9867.
ISSN 1520-6106
Bankura, Arindam ; Chandra, Amalendu
(2015)
Proton transfer through hydrogen bonds in two-dimensional water layers: A theoretical study based on ab initio and quantum-classical simulations
The Journal of Chemical Physics, 142
(4).
044701.
ISSN 0021-9606
Chandra, Amalendu
(2015)
Seeing Molecules in Motion in Aqueous Solutions
Proceedings of the National Academy of Sciences, India Section A: Physical Sciences, 85
(4).
pp. 527-530.
ISSN 0369-8203
Rana, Malay Kumar ; Chandra, Amalendu
(2015)
Solvation of narrow pores of graphene-like plates in simple dipolar liquids: Wetting and dewetting behavior and solvent dynamics for varying pore width and solute–solvent interaction
Chemical Physics, 457
.
pp. 78-86.
ISSN 03010104
Choudhary, Ashu ; Chandra, Amalendu
(2015)
Spatial and Orientational Structure of the Hydration Shell of Benzene in Sub- and Supercritical Water
The Journal of Physical Chemistry B, 119
(27).
pp. 8600-8612.
ISSN 1520-6106
Chandra, Amalendu ; Biswas, Ranjit ; Fleming, Graham R.
(2015)
Tribute to Biman Bagchi
The Journal of Physical Chemistry B, 119
(34).
pp. 10809-10812.
ISSN 1520-6106
Ojha, Deepak ; Chandra, Amalendu
(2015)
Ultrafast Vibrational Echo Spectroscopy of Liquid Water from First-Principles Simulations
The Journal of Physical Chemistry B, 119
(34).
pp. 11215-11228.
ISSN 1520-6106
Karmakar, Anwesa ; Chandra, Amalendu
(2015)
Water in Hydration Shell of an Iodide Ion: Structure and Dynamics of Solute-Water Hydrogen Bonds and Vibrational Spectral Diffusion from First-Principles Simulations
The Journal of Physical Chemistry B, 119
(27).
pp. 8561-8572.
ISSN 1520-6106
Kayal, Abhijit ; Chandra, Amalendu
(2015)
Wetting and dewetting of narrow hydrophobic channels by orthogonal electric fields: Structure, free energy, and dynamics for different water models
The Journal of Chemical Physics, 143
(22).
p. 224708.
ISSN 0021-9606
Rana, Malay Kumar ; Chandra, Amalendu
(2015)
Wetting behavior of nonpolar nanotubes in simple dipolar liquids for varying nanotube diameter and solute-solvent interactions
The Journal of Chemical Physics, 142
(3).
034704.
ISSN 0021-9606
Dutta Banik, Sindrila ; Chandra, Amalendu
(2014)
A Hybrid QM/MM Simulation Study of Intramolecular Proton Transfer in the Pyridoxal 5′-Phosphate in the Active Site of Transaminase: Influence of Active Site Interaction on Proton Transfer
The Journal of Physical Chemistry B, 118
(38).
pp. 11077-11089.
ISSN 1520-6106
Choudhuri, Jyoti Roy ; Chandra, Amalendu
(2014)
Hydrogen bonded structure, polarity, molecular motion and frequency fluctuations at liquid-vapor interface of a water-methanol mixture: An ab initio molecular dynamics study
The Journal of Chemical Physics, 141
(13).
p. 134703.
ISSN 0021-9606
Pratihar, Subha ; Chandra, Amalendu
(2014)
An ab initio Molecular Dynamics Study of Electron Hydration Dynamics in Water Hexamer Cluster at a Finite Temperature
Proceedings of the Indian National Science Academy, 80
(5).
p. 1073.
ISSN 0370-0046
Choudhuri, Jyoti Roy ; Chandra, Amalendu
(2014)
Structure and Dynamics of the Liquid–Liquid Interface of an Aqueous NaCl Solution with Liquid Carbon Tetrachloride from First-Principles Simulations
The Journal of Physical Chemistry C, 118
(40).
pp. 23083-23091.
ISSN 1932-7447
Bankura, Arindam ; Karmakar, Anwesa ; Carnevale, Vincenzo ; Chandra, Amalendu ; Klein, Michael L.
(2014)
Structure, Dynamics, and Spectral Diffusion of Water from First-Principles Molecular Dynamics
The Journal of Physical Chemistry C, 118
(50).
pp. 29401-29411.
ISSN 1932-7447
Choudhuri, Jyoti Roy ; Chandra, Amalendu
(2014)
An ab initio molecular dynamics study of the hydrogen bonded structure, dynamics and vibrational spectral diffusion of water in the ion hydration shell of a superoxide ion
Chemical Physics, 445
.
pp. 105-112.
ISSN 03010104
Choudhuri, Jyoti Roy ; Chandra, Amalendu
(2014)
An ab initio molecular dynamics study of the liquid-vapor interface of an aqueous NaCl solution: Inhomogeneous density, polarity, hydrogen bonds, and frequency fluctuations of interfacial molecules
The Journal of Chemical Physics, 141
(19).
p. 194705.
ISSN 0021-9606
Rana, Malay Kumar ; Chandra, Amalendu
(2013)
Ab initio and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet
The Journal of Chemical Physics, 138
(20).
p. 204702.
ISSN 0021-9606
Kumar Yadav, Vivek ; Chandra, Amalendu
(2013)
Dynamics of hydrogen bonds and vibrational spectral diffusion in liquid methanol from first principles simulations with dispersion corrected density functional
Chemical Physics, 415
.
pp. 1-7.
ISSN 03010104
Yadav, Vivek Kumar ; Chandra, Amalendu
(2013)
Dynamics of supercritical methanol of varying density from first principles simulations: Hydrogen bond fluctuations, vibrational spectral diffusion, and orientational relaxation
The Journal of Chemical Physics, 138
(22).
p. 224501.
ISSN 0021-9606
Yadav, Vivek Kumar ; Chandra, Amalendu
(2013)
Frequency dependence of the reorientational motion of OD bonds of deuterated methanol in liquid phase: A first principles molecular dynamics study
Journal of Molecular Liquids, 182
.
pp. 43-47.
ISSN 01677322
Karmakar, Anwesa ; Choudhuri, Jyoti Roy ; Yadav, Vivek K. ; Mallik, Bhabani S. ; Chandra, Amalendu
(2013)
A first principles simulation study of vibrational spectral diffusion in aqueous NaBr solutions: Dynamics of water in ion hydration shells
Chemical Physics, 412
.
pp. 13-21.
ISSN 03010104
Bankura, Arindam ; Chandra, Amalendu
(2012)
Hydration structure and dynamics of a hydroxide ion in water clusters of varying size and temperature: Quantum chemical and ab initio molecular dynamics studies
Chemical Physics, 400
.
pp. 154-164.
ISSN 03010104
MALLIK, BHABANI S ; CHANDRA, AMALENDU
(2012)
Hydrogen bond dynamics and vibrational spectral diffusion in aqueous solution of acetone: A first principles molecular dynamics study#
Journal of Chemical Sciences, 124
(1).
pp. 215-221.
ISSN 0974-3626
Bankura, Arindam ; Chandra, Amalendu
(2012)
Hydroxide Ion Can Move Faster Than an Excess Proton through One-Dimensional Water Chains in Hydrophobic Narrow Pores
The Journal of Physical Chemistry B, 116
(32).
pp. 9744-9757.
ISSN 1520-6106
Rana, Malay Kumar ; Chandra, Amalendu
(2012)
Solvation of fullerene and fulleride ion in liquid ammonia: Structure and dynamics of the solvation shells
The Journal of Chemical Physics, 137
(13).
p. 134501.
ISSN 0021-9606
Rana, Malay Kumar ; Chandra, Amalendu
(2012)
Solvation structure of nanoscopic hydrophobic solutes in supercritical water: Results for varying thickness of hydrophobic walls, solute–solvent interaction and solvent density
Chemical Physics, 408
.
pp. 28-35.
ISSN 03010104
Chakraborty, Debashree ; Chandra, Amalendu
(2012)
Voids and necks in liquid ammonia and their roles in diffusion of ions of varying size
Journal of Computational Chemistry, 33
(8).
pp. 843-852.
ISSN 01928651
Gupta, Rini ; Chandra, Amalendu
(2012)
An ab initio molecular dynamics study of diffusion, orientational relaxation and hydrogen bond dynamics in acetone–water mixtures
Journal of Molecular Liquids, 165
.
pp. 1-6.
ISSN 01677322
Bankura, Arindam ; Chandra, Amalendu
(2012)
A first principles molecular dynamics study of the solvation structure and migration kinetics of an excess proton and a hydroxide ion in binary water-ammonia mixtures
The Journal of Chemical Physics, 136
(11).
p. 114509.
ISSN 0021-9606
Yadav, Vivek K. ; Karmakar, Anwesa ; Choudhuri, Jyoti Roy ; Chandra, Amalendu
(2012)
A first principles molecular dynamics study of vibrational spectral diffusion and hydrogen bond dynamics in liquid methanol
Chemical Physics, 408
.
pp. 36-42.
ISSN 03010104
Chakraborty, Debashree ; Chandra, Amalendu
(2012)
A first principles simulation study of fluctuations of hydrogen bonds and vibrational frequencies of water at liquid–vapor interface
Chemical Physics, 392
(1).
pp. 96-104.
ISSN 03010104
Choudhuri, Jyoti Roy ; Yadav, Vivek K. ; Karmakar, Anwesa ; Mallik, Bhabani S. ; Chandra, Amalendu
(2012)
A first-principles theoretical study of hydrogen-bond dynamics and vibrational spectral diffusion in aqueous ionic solution: Water in the hydration shell of a fluoride ion
Pure and Applied Chemistry, 85
(1).
pp. 27-40.
ISSN 0033-4545
Chakraborty, Debashree ; Chandra, Amalendu
(2011)
Diffusion of ions in supercritical water: Dependence on ion size and solvent density and roles of voids and necks
Journal of Molecular Liquids, 162
(1).
pp. 12-19.
ISSN 01677322
Chakraborty, Debashree ; Chandra, Amalendu
(2011)
Hydrogen bonded structure and dynamics of liquid-vapor interface of water-ammonia mixture: An ab initio molecular dynamics study
The Journal of Chemical Physics, 135
(11).
p. 114510.
ISSN 0021-9606
Gupta, Rini ; Chandra, Amalendu
(2011)
Nonideality in diffusion of ionic and neutral solutes and hydrogen bond dynamics in dimethyl sulfoxide-chloroform mixtures of varying composition
Journal of Computational Chemistry, 32
(12).
pp. 2679-2689.
ISSN 01928651
GUPTA, RINI ; CHANDRA, AMALENDU
(2011)
SINGLE-PARTICLE AND PAIR DYNAMICAL PROPERTIES OF ACETONE–METHANOL MIXTURES CONTAINING CHARGED AND NEUTRAL SOLUTES: A MOLECULAR DYNAMICS STUDY
Journal of Theoretical and Computational Chemistry, 10
(03).
pp. 261-278.
ISSN 0219-6336
Gupta, Rini ; Chandra, Amalendu
(2011)
Structural, single-particle and pair dynamical properties of acetone–chloroform mixtures with dissolved solutes
Chemical Physics, 383
(1-3).
pp. 41-49.
ISSN 03010104
Mallik, Bhabani S. ; Chandra, Amalendu
(2011)
An ab initio molecular dynamics study of supercritical aqueous ionic solutions: Hydrogen bonding, rotational dynamics and vibrational spectral diffusion
Chemical Physics, 387
(1-3).
pp. 48-55.
ISSN 03010104
Chakraborty, Debashree ; Chandra, Amalendu
(2011)
An analysis of voids and necks in supercritical water
Journal of Molecular Liquids, 163
(1).
pp. 1-6.
ISSN 01677322
Pratihar, Subha ; Chandra, Amalendu
(2011)
A first principles molecular dynamics study of excess electron and lithium atom solvation in water–ammonia mixed clusters: Structural, spectral, and dynamical behaviors of [(H2O)5NH3]− and Li(H2O)5NH3 at finite temperature
The Journal of Chemical Physics, 134
(3).
034302.
ISSN 0021-9606
Pratihar, Subha ; Chandra, Amalendu
(2011)
A first principles molecular dynamics study of lithium atom solvation in binary liquid mixture of water and ammonia: Structural, electronic, and dynamical properties
The Journal of Chemical Physics, 134
(2).
024519.
ISSN 0021-9606
Bankura, Arindam ; Chandra, Amalendu
(2011)
A first principles theoretical study of the hydration structure and dynamics of an excess proton in water clusters of varying size and temperature
Chemical Physics, 387
(1-3).
pp. 92-102.
ISSN 03010104
Marx, Dominik ; Chandra, Amalendu ; Tuckerman, Mark E.
(2010)
Aqueous basic solutions: hydroxide solvation, structural diffusion, and comparison to the hydrated proton
Chemical Reviews, 110
(4).
pp. 2174-2216.
ISSN 0009-2665
Pratihar, Subha ; Chandra, Amalendu
(2010)
Excess Electron and Lithium Atom Solvation in Water Clusters at Finite Temperature: An ab Initio Molecular Dynamics Study of the Structural, Spectral, and Dynamical Behavior of (H2O)6−and Li(H2O)6
The Journal of Physical Chemistry A, 114
(44).
pp. 11869-11878.
ISSN 1089-5639
Tuckerman, Mark E. ; Chandra, Amalendu ; Marx, Dominik
(2010)
A statistical mechanical theory of proton transport kinetics in hydrogen-bonded networks based on population correlation functions with applications to acids and bases
The Journal of Chemical Physics, 133
(12).
p. 124108.
ISSN 0021-9606
Chowdhuri, Snehasis ; Chakraborty, Debashree ; Chandra, Amalendu
(2009)
Pressure effects on diffusion in liquid ammonia: a simulation study using a combination of isobaric-isothermal and microcanonical molecular dynamics
Indian Journal of Physics, 83
(1).
pp. 91-100.
ISSN 0019-5480
Pratihar, Subha ; Chandra, Amalendu
(2008)
Microscopic solvation of a lithium atom in water-ammonia mixed clusters: solvent coordination and electron localization in presence of a counterion
Journal of Chemical Physics, 129
(2).
024511_1-024511_11.
ISSN 1674-0068
Rana, Malay ; Chandra, Amalendu
(2008)
Water structure near single and multi-layer nanoscopic hydrophobic plates of varying separation and interaction potentials
Bulletin of Material science, 31
(3).
pp. 525-532.
ISSN 0250-4707
Mallik, Bhabani S. ; Semparithi, A. ; Chandra, Amalendu
(2008)
Vibrational spectral diffusion and hydrogen bond dynamics in heavy water from first principles
Journal of Physical Chemistry A, 112
(23).
pp. 5104-5112.
ISSN 1089-5639
Paul, Sandip ; Chandra, Amalendu
(2008)
Structure and dynamics of water at liquid-vapour interfaces covered by surfactant monolayers of neutral stearic acid and charged stearate ions
Journal of Molecular Liquids, 140
(1-3).
pp. 33-38.
ISSN 0167-7322
Nag, A. ; Chakraborty, D. ; Chandra, A.
(2008)
Effects of ion concentration on the hydrogen bonded structure of water in the vicinity of ions in aqueous NaCl solutions
Journal of Chemical Sciences, 120
(1).
pp. 71-77.
ISSN 0253-4134
Gupta, Rini ; Chandra, Amalendu
(2008)
Single particle and pair dynamics in water-formic acid mixtures containing ionic and neutral solutes: nonideality in dynamical properties
Journal of Chemical Physics, 128
(18).
184506_1-184506_10.
ISSN 1674-0068
Mallik, Bhabani S. ; Chandra, Amalendu
(2008)
Vibrational spectral diffusion in supercritical D2O from first principles: an interplay between the dynamics of hydrogen bonds, dangling
OD groups, and inertial rotation
Journal of Physical Chemistry A, 112
(51).
pp. 13518-13527.
ISSN 1089-5639
Mallik, Bhabani S. ; Chandra, Amalendu
(2008)
An ab initio molecular dynamics study of the frequency dependence of rotational motion in liquid water
Journal of Molecular Liquids, 143
(1).
pp. 31-34.
ISSN 0167-7322
Mallik, Bhabani S. ; Semparithi, A. ; Chandra, Amalendu
(2008)
A first principles theoretical study of vibrational spectral diffusion and hydrogen bond dynamics in aqueous ionic solutions: D2O in hydration shells of Cl¯ ions
Journal of Chemical Physics, 129
(19).
p. 194512.
ISSN 1674-0068
Paul, Sandip ; Chandra, Amalendu
(2007)
Structure, dynamics, and the free energy of solute adsorption at liquid-vapor interfaces of simple dipolar systems: molecular dynamics results for pure and mixed Stockmayer fluids
Journal of Physical chemistry B, 111
(43).
pp. 12500-12507.
ISSN 1089-5647
Rana, Malay ; Chandra, Amalendu
(2007)
Filled and empty states of carbon nanotubes in water: dependence on nanotube diameter, wall thickness and dispersion interactions
Journal of Chemical Sciences, 119
(5).
pp. 367-376.
ISSN 0253-4134
Pratihar, Subha ; Chandra, Amalendu
(2007)
Electron solvation in water-ammonia mixed clusters: structure, energetics, and the nature of localization states of the excess electron
Journal of Chemical Physics, 126
(23).
234510_1-234510_13.
ISSN 1674-0068
Chandra, Amalendu ; Marx, Dominik
(2007)
Creating interfaces by stretching the solvent is key to metallic ammonia solutions
Angewandte Chemie International Edition, 46
(20).
pp. 3676-3679.
ISSN 1433-7851
Chandra, Amalendu ; Tuckerman, Mark E. ; Marx, Dominik
(2007)
Connecting solvation shell structure to proton transport kinetics in hydrogen-bonded networks via population correlation functions
Physical Review Letters, 99
(14).
145901_1-145901_4.
ISSN 0031-9007
Gupta, Rini ; Chandra, Amalendu
(2007)
Nonideality in diffusion of ionic and hydrophobic solutes and pair dynamics in water-acetone mixtures of varying composition
Journal of Chemical Physics, 127
(2).
024503_1-024503_10.
ISSN 1674-0068
Tuckerman, Mark E. ; Chandra, Amalendu ; Marx, Dominik
(2006)
Structure and dynamics of OH-(aq)
Accounts of Chemical Research, 39
(2).
pp. 151-158.
ISSN 0001-4842
Chowdhuri, Snehasis ; Chandra, Amalendu
(2006)
Dynamics of halide ion-water hydrogen bonds in aqueous solutions: dependence on ion size and temperature
The Journal of Physical Chemistry B, 110
(19).
pp. 9674-9680.
ISSN 1089-5647
Mallik, Bhabani S. ; Chandra, Amalendu
(2006)
Hydrogen bond and residence dynamics of ion-water and water-water pairs in supercritical aqueous ionic solutions: dependence on ion size and density
Journal of Chemical Physics, 125
(23).
234502_1-234502_9.
ISSN 1674-0068
Chowdhuri, Snehasis ; Chandra, Amalendu
(2006)
Solute size effects on the solvation structure and diffusion of ions in liquid methanol under normal and cold conditions
Journal of Chemical Physics, 124
(8).
084507_1-084507_8.
ISSN 1674-0068
Paul, Sandip ; Chandra, Amalendu
(2005)
Hydrogen bond properties and dynamics of liquid-vapor interfaces of aqueous methanol solutions
Journal of Chemical Theory and Computation, 1
(6).
pp. 1221-1231.
ISSN 1549-9618
Chandra, Amalendu ; Bankura, Arindam
(2005)
Hydration and translocation of an excess proton in water clusters: an ab initio molecular dynamics study
Pramana - Journal of Physics, 65
(4).
pp. 763-768.
ISSN 0304-4289
Paul, Sandip ; Chandra, Amalendu
(2005)
Molecular dynamics study of the liquid-vapor interface of acetonitrile: equilibrium and dynamical properties
Journal of Physical Chemistry B, 109
(43).
pp. 20558-20564.
ISSN 1089-5647
Chowdhuri, Snehasis ; Chandra, Amalendu
(2005)
Dynamics of ionic and hydrophobic solutes in water-methanol mixtures of varying composition
Journal of Chemical Physics, 123
(23).
234501_1-234501_8.
ISSN 1674-0068
Paul, Sandip ; Chandra, Amalendu
(2005)
Liquid-vapor interfaces of water-acetonitrile mixtures of varying composition
Journal of Chemical Physics, 123
(18).
184706_1-184706_8.
ISSN 1674-0068
Paul, Sandip ; Chandra, Amalendu
(2005)
Liquid-vapor interfacial properties of water-ammonia mixtures: dependence on ammonia concentration
Journal of Chemical Physics, 123
(17).
174712_1-174712_9.
ISSN 1674-0068
Paul, Sandip ; Chandra, Amalendu
(2004)
Binding of hydrogen bonding solutes at liquid-vapour interfaces of molecular fluids
Chemical Physics Letters, 400
(4-6).
pp. 515-519.
ISSN 0009-2614
Paul, Sandip ; Chandra, Amalendu
(2004)
Hydrogen bond dynamics at vapour-water and metal-water interfaces
Chemical Physics Letters, 386
(4-6).
pp. 218-224.
ISSN 0009-2614
Paul, Sandip ; Chandra, Amalendu
(2003)
Liquid-vapor interfaces of simple electrolyte solutions: molecular dynamics results for ions in Stockmayer fluids
Journal of Physical Chemistry B, 107
(46).
pp. 12705-12712.
ISSN 1089-5647
Boese, Daniel ; Chandra, Amalendu ; Martin, Jan M. L. ; Marx, Dominik
(2003)
From ab initio quantum chemistry to molecular dynamics: the delicate case of hydrogen bonding in ammonia
Journal of Chemical Physics, 119
(12).
pp. 5965-5980.
ISSN 1674-0068
Chowdhuri, Snehasis ; Chandra, Amalendu
(2003)
Hydration structure and diffusion of ions in supercooled water: ion size effects
Journal of Chemical Physics, 118
(21).
pp. 9719-9725.
ISSN 1674-0068
Paul, Sandip ; Chandra, Amalendu
(2003)
Dynamics of water molecules at liquid-vapour interfaces of aqueous ionic solutions: effects of ion concentration
Chemical Physics Letters, 373
(1-2).
pp. 87-93.
ISSN 0009-2614
Chowdhuri, Snehasis ; Chandra, Amalendu
(2003)
Pressure effects on the tracer diffusion and orientational relaxation of hydrogen bonding solutes in ambient and supercooled water
Chemical Physics Letters, 373
(1-2).
pp. 79-86.
ISSN 0009-2614
Chowdhuri, Snehasis ; Chandra, Amalendu
(2003)
Tracer diffusion of ionic and hydrophobic solutes in water-dimethyl sulfoxide mixtures: effects of varying composition
Journal of Chemical Physics, 119
(8).
pp. 4360-4366.
ISSN 1674-0068
Chowdhuri, Snehasis ; Chandra, Amalendu
(2002)
Hydrogen bonds in aqueous electrolyte solutions: statistics and dynamics based on both geometric and energetic criteria
Physical Review letters, 66
(4).
041203_1-041203_7.
ISSN 0031-9007
Chandra, Amalendu ; Chowdhuri, Snehasis
(2001)
Effects of hydrogen-bond environment on single particle and pair dynamics in liquid water
Proceedings of the Indian Academy of Sciences - Chemical Sciences, 113
(5-6).
pp. 591-601.
ISSN 0253-4134
Chowdhuri, Snehasis ; Chandra, Amalendu
(2001)
Molecular dynamics simulations of aqueous NaCl and KCl solutions: effects of ion concentration on the single-particle, pair, and collective dynamical properties of of ions and water molecules
Journal of Chemical Physics, 115
(8).
pp. 3732-3741.
ISSN 1674-0068
Senapati, Sanjib ; Chandra, Amalendu
(2001)
Dielectric constant of water confined in nanocavity
Journal of Physical Chemistry B, 105
(22).
pp. 5106-5109.
ISSN 1089-5647
Senapati, Sanjib ; Chandra, Amalendu
(2000)
Surface charge induced modifications of the structure and dynamics of mixed dipolar liquids at solid-liquid interfaces: a molecular dynamics simulation study
Journal of Chemical Physics, 113
(19).
pp. 8817-8826.
ISSN 1674-0068
Chandra, Amalendu ; Bagchi, Biman
(2000)
Beyond the classical transport laws of electrochemistry: new microscopic approach to ionic conductance and viscosity
Journal of Physical Chemistry B, 104
(39).
pp. 9067-9080.
ISSN 1089-5647
Chandra, Amalendu ; Bagchi, Biman
(2000)
Ionic contribution to the viscosity of dilute electrolyte solutions: towards a microscopic theory
Journal of Chemical Physics, 113
(8).
pp. 3226-3232.
ISSN 0021-9606
Chandra, Amalendu
(2000)
Effects of ion atmosphere on hydrogen-bond dynamics in aqueous electrolyte solutions
Physical Review Letters, 85
(4).
pp. 768-771.
ISSN 0031-9007
Chandra, Amalendu
(2000)
Static dielectric constant of aqueous electrolyte solutions: is there any dynamic contribution?
Journal of Chemical Physics, 113
(3).
pp. 903-905.
ISSN 0021-9606
Senapati, Sanjib ; Chandra, Amalendu
(2000)
Interfacial structure of a mixed dipolar liquid in contact with a charged solid surface
Journal of Chemical Physics, 112
(23).
pp. 10467-10475.
ISSN 1674-0068
Chandra, Amalendu ; Bagchi, Biman
(2000)
Frequency dependence of ionic conductivity of electrolyte solutions
Journal of Chemical Physics, 112
(4).
pp. 1876-1886.
ISSN 0021-9606
Senapati, Sanjib ; Chandra, Amalendu
(2000)
Structure of a mixed dipolar liquid near a metal surface: a combined approach of weighted density and perturbative approximations
Physical Review Letters, 62
(1).
pp. 1017-1024.
ISSN 0031-9007
Chandra, Amalendu ; Ichiye, Toshiko
(1999)
Dynamical properties of the soft sticky dipole model of water: molecular dynamics simulations
Journal of Chemical Physics, 111
(6).
pp. 2701-2709.
ISSN 1674-0068
Senapati, Sanjib ; Chandra, Amalendu
(1999)
Molecular dynamics simulations of simple dipolar liquids in spherical cavity: effects of confinement on structural, dielectric, and dynamical properties
Journal of Chemical Physics, 111
(3).
pp. 1223-1230.
ISSN 1674-0068
Chandra, Amalendu ; Bagchi, Biman
(1999)
Ion conductance in electrolyte solutions
Journal of Chemical Physics, 110
(20).
pp. 10024-10034.
ISSN 0021-9606
Chandra, Amalendu ; Biswas, Ranjit ; Bagchi, Biman
(1999)
Molecular origin of the Debye-Huckel-Onsager limiting law of ion conductance and its extension to high concentrations: mode coupling theory approach to electrolyte friction
Journal of the American Chemical Society, 121
(16).
pp. 4082-4083.
ISSN 0002-7863
Senapati, Sanjib ; Chandra, Amalendu
(1999)
Structure and dynamics of mixed dipolar liquids near solid surfaces: a molecular dynamics simulation study
Chemical Physics, 242
(3).
pp. 353-366.
ISSN 0301-0104
Senapati, Sanjib ; Chandra, Amalendu
(1999)
Nonlinear theory of metal-solvent interface using the density functional approach
Physical Review Letters, 59
(3).
pp. 3140-3146.
ISSN 0031-9007
Chandra, Amalendu
(1999)
A theoretical study of outersphere electron transfer reactions in electrolyte solutions
Journal of Chemical Physics, 110
(3).
pp. 1569-1580.
ISSN 1674-0068
Senapati, Sanjib ; Chandra, Amalendu
(1998)
Computer simulations of dipolar liquids near charged solid surfaces: electric-field-induced modifications of structure and dynamics of interfacial solvent
Journal of Molecular Structure: Theochem, 455
(1).
pp. 1-8.
ISSN 0166-1280
Chandra, Amalendu
(1998)
Solvent effects on outersphere electron transfer reactions in mixed dipolar liquids
Chemical Physics, 238
(2).
pp. 285-300.
ISSN 0301-0104
Chandra, Amalendu ; Senapati, Sanjib
(1998)
Rotational dielectric friction and molecular relaxation at metal-solvent interfaces
Journal of Molecular Liquids, 77
(1-3).
pp. 77-93.
ISSN 0167-7322
Senapati, Sanjib ; Chandra, Amalendu
(1998)
Molecular relaxation in simple dipolar liquids confined between two solid surfaces
Chemical Physics, 231
(1).
pp. 65-80.
ISSN 0301-0104
Chandra, Amalendu
(1998)
Dynamics of electrical double layer formation at a charged solid surface
Journal of Molecular Structure: Theochem, 430
(1).
pp. 105-111.
ISSN 0166-1280
Chandra, Amalendu
(1998)
Effects of ion atmosphere relaxation on dipole isomerization reactions in electrolyte solutions
Journal of Molecular Structure: THEOCHEM, 422
(1-3).
pp. 49-55.
ISSN 0166-1280
Chandra, Amalendu
(1996)
Dynamics of ion atmosphere relaxation around a newly created dipolar solute
Chemical Physics, 208
(1).
pp. 1-7.
ISSN 0301-0104
Chandra, Amalendu
(1996)
Electron transfer reactions in electrolyte solutions: effects of ion atmosphere and solvent relaxation
Chemical Physics Letters, 253
(5-6).
pp. 456-462.
ISSN 0009-2614
Chandra, Amalendu
(1996)
Electrolyte dynamics effect on adiabatic outersphere electron transfer reactions
Journal of Molecular Structure: Theochem, 361
(1-3).
pp. 123-134.
ISSN 0166-1280
Chandra, Amalendu
(1995)
Dielectric relaxation of binary dipolar liquids
Chemical Physics, 195
(1-3).
pp. 93-105.
ISSN 0301-0104
Chandra, Amalendu
(1995)
Ion solvation dynamics in binary dipolar liquids: theoretical and simulation results for mixtures of Stockmayer liquids
Chemical Physics Letters, 235
(1-2).
pp. 133-139.
ISSN 0009-2614
Chandra, A. ; Bagchi, B.
(1993)
Microscopic theory of solvation of an ion in a binary dipolar liquid
Journal of Molecular Liquids, 57
(1).
pp. 39-51.
ISSN 0167-7322
Bagchi, B. ; Chandra, A.
(1993)
Molecular theory of underdamped dielectric relaxation: understanding collective effects in dipolar liquids
Chemical Physics, 173
(2).
pp. 133-141.
ISSN 0301-0104
Chandra, Amalendu ; Bagchi, Biman
(1993)
Microscopic study of inertial and viscoelastic effects in dipolar solvation dynamics
Journal of Chemical Physics, 99
(1).
pp. 553-562.
ISSN 0021-9606
Chandra, A. ; Bagchi, B.
(1992)
Dynamics of solvation of an ion in a dense dipolar liquid
Proceedings of the Indian Academy of Sciences - Chemical Sciences, 104
(6).
pp. 675-679.
ISSN 0253-4134
Chandra, A. ; Bagchi, B.
(1992)
Molecular interpretation of the linear relationship between the entropy and the enthalpy of activation of charge transfer reactions in polar liquids
Proceedings of the Indian Academy of Sciences - Chemical Sciences, 104
(3).
pp. 399-407.
ISSN 0253-4134
Bagchi, B. ; Chandra, A.
(1992)
Ultrafast solvation dynamics: molecular explanation of computer simulation results in a simple dipolar solvent
Journal of Chemical Physics, 97
(7).
pp. 5126-5131.
ISSN 0021-9606
Chandra, A. ; Bagchi, B.
(1991)
Effects of solvent viscoelasticity in the solvation dynamics of an ion in a dense dipolar liquid
Chemical Physics, 156
(3).
pp. 323-338.
ISSN 0301-0104
Chandra, A. ; Bagchi, B.
(1991)
Molecular theory of dielectric relaxation in a dense binary dipolar liquid
Journal of Physical Chemistry, 95
(6).
pp. 2529-2535.
ISSN 0022-3654
Chandra, A. ; Bagchi, B.
(1991)
Relaxation dominated by inertia: solvation dynamics of a small ion in a dipolar solvent
Proceedings of the Indian Academy of Sciences - Chemical Sciences, 103
(1).
pp. 77-82.
ISSN 0253-4134
Bagchi, B. ; Chandra, A.
(1991)
Dielectric relaxation in dipolar liquids
International Journal of Modern Physics B, 5
(3).
pp. 461-480.
ISSN 0217-9792
Chandra, A. ; Bagchi, B.
(1991)
Inertial effects in solvation dynamics
Journal of Chemical Physics, 94
(4).
pp. 3177-3182.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1991)
Microscopic free energy functional for polarization fluctuations: generalization of Marcus-Felderhof expression
Journal of Chemical Physics, 94
(3).
pp. 2258-2261.
ISSN 0021-9606
Chandra, A. ; Bagchi, B.
(1991)
Molecular theory of solvation and solvation dynamics in a binary dipolar liquid
Journal of Chemical Physics, 94
(12).
pp. 8367-8377.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1990)
Collective orientational relaxation in a dense liquid of ellipsoidal molecules
Physica A: Statistical Mechanics and Its Applications, 169
(2).
pp. 246-262.
ISSN 0378-4371
Bagchi, B. ; Chandra, A. ; Fleming, G. R.
(1990)
Dynamic solvent effects in adiabatic electron-transfer reactions: role of translational modes
Journal of Physical Chemistry, 94
(13).
pp. 5197-5200.
ISSN 0022-3654
Chandra, Amalendu ; Bagchi, Biman
(1990)
Relationship between microscopic and macroscopic orientational relaxation times in polar liquids
Journal of Physical Chemistry, 94
(7).
pp. 3152-3156.
ISSN 0022-3654
Chandra, Amalendu ; Bagchi, Biman
(1990)
Effects of molecular size in solvation dynamics
Journal of Physical Chemistry, 94
(5).
pp. 1874-1876.
ISSN 0022-3654
Bagchi, B. ; Chandra, A.
(1990)
Dielectric relaxation in dipolar liquids: route to Debye behavior via translational diffusion
Physical Review Letters, 64
(4).
pp. 455-458.
ISSN 0031-9007
Chandra, Amalendu ; Bagchi, Biman
(1990)
Relationship between energy gap time correlation and fluorescence stokes shift correlation functions in solvation dynamics
Chemical Physics Letters, 165
(1).
pp. 93-99.
ISSN 0009-2614
Chandra, A. ; Bagchi, B.
(1990)
Collective excitations in a dense dipolar liquid: how important are dipolarons in the polarization relaxation of common dipolar liquids?
Journal of Chemical Physics, 92
(11).
pp. 6833-6839.
ISSN 0021-9606
Bagchi, B. ; Chandra, A.
(1990)
Macro-micro relations in dipolar orientational relaxation: an exactly solvable model of dielectric relaxation
Journal of Chemical Physics, 93
(33).
pp. 1955-1958.
ISSN 0021-9606
Bagchi, Biman ; Chandra, Amalendu ; Rice, Stuart A.
(1990)
An interpretation of the bifurcation of orientational relaxation processes in a supercooled liquid
Journal of Chemical Physics, 93
(12).
pp. 8991-9001.
ISSN 0021-9606
Vijayadamodar, G. V. ; Chandra, A. ; Bagchi, B.
(1989)
Effects of translational diffusion on dielectric friction in a dipolar liquid
Chemical Physics Letters, 161
(4-5).
pp. 413-419.
ISSN 0009-2614
Chandra, Amalendu ; Bagchi, Biman
(1989)
Molecular theory of solvation and solvation dynamics of a classical ion in a dipolar liquid
Journal of Physical Chemistry, 93
(19).
pp. 6996-7003.
ISSN 0022-3654
Bagchi, Biman ; Chandra, Amalendu
(1989)
Solvation of an ion and of a dipole in a dipolar liquid: how different are the dynamics?
Chemical Physics Letters, 155
(6).
pp. 533-538.
ISSN 0009-2614
Chandra, Amalendu ; Bagchi, Biman
(1989)
Microscopic expression for time-dependent solvation energy of ions and dipoles in dense polar liquids
Proceedings of the Indian Academy of Sciences - Chemical Sciences, 101
(1).
pp. 83-88.
ISSN 0253-4134
Chandra, Amalendu ; Bagchi, Biman
(1989)
Breakdown of Onsager's conjecture on distance dependent polarization relaxation in solvation dynamics
Journal of Chemical Physics, 91
(4).
pp. 2594-2598.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1989)
Exotic dielectric behavior of polar liquids
Journal of Chemical Physics, 91
(5).
pp. 3056-3060.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1989)
Force constants of solvent polarization fluctuations: softening at intermediate wave vectors
Journal of Chemical Physics, 91
(11).
pp. 7181-7186.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1989)
Microscopic expression for frequency and wave vector dependent dielectric constant of a dipolar liquid
Journal of Chemical Physics, 90
(3).
pp. 1832-1840.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1989)
Microscopic expression for time-dependent solvation energy of ions and dipoles in dense polar liquids
Proceedings / Indian Academy of Sciences, 101
(1).
pp. 83-88.
ISSN 0370-0089
Bagchi, Biman ; Chandra, Amalendu
(1989)
Polarization relaxation, dielectric dispersion, and solvation dynamics in dense dipolar liquid
Journal of Chemical Physics, 90
(12).
pp. 7338-7345.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1989)
A molecular theory of collective orientational relaxation in pure and binary dipolar liquids
Journal of Chemical Physics, 91
(3).
pp. 1829-1842.
ISSN 0021-9606
Chandra, Amalendu ; Bagchi, Biman
(1988)
The role of translational diffusion in the polarization relaxation in dense polar liquids
Chemical Physics Letters, 151
(1-2).
pp. 47-53.
ISSN 0009-2614
Bagchi, Biman ; Chandra, Amalendu
(1988)
Dynamics of polar solvation: route to single exponential relaxation via translational diffusion
Proceedings of the Indian Academy of Sciences - Chemical Sciences, 100
(4).
pp. 353-357.
ISSN 0253-4134
Chandra, Amalendu ; Bagchi, Biman
(1988)
The role of translational diffusion in the polarization relaxation in dense polar liquids
Chemical Physics Letters, 151
(1-2).
pp. 47-53.
ISSN 00092614
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