Browse by Fellow

Singh, Raman K. ; Ortiz, J. V. ; Mishra, Manoj K. (2010) Tautomeric forms of adenine: vertical ionization energies and Dyson orbitals International Journal of Quantum Chemistry, 110 (10). pp. 1901-1915. ISSN 0020-7608

Singh, Raman K. ; Mishra, Manoj K. (2009) Electronic structure analysis and vertical ionization energies of thiophene and ethynylthiophenes Journal of Chemical Sciences, 121 (5). pp. 867-872. ISSN 0253-4134

Sarma, Manabendra ; Adhikari, S. ; Mishra, M. K. (2009) Laser assisted control of selective bond dissociation in HOD-some mechanistic insights Molecular Physics, 107 (8-12). pp. 939-961. ISSN 0026-8976

Singh, Raman K. ; Mishra, Manoj K. (2009) Investigation of ethynylfurans using the electron propagator theory Journal of Physical Chemistry A, 113 (51). pp. 14150-14155. ISSN 1089-5639

Sarma, Manabendra ; Adhikari, S. ; Mishra, Manoj K. (2008) Mechanistic investigation of vibrational fine structure in e-H₂ scattering using local complex potential-based time dependent wave packet approach International Journal of Quantum Chemistry, 108 (6). pp. 1044-1051. ISSN 0020-7608

Sarma, Manabendra ; Mishra, Manoj K. (2008) Role of photolysis frequency in enhanced selectivity and yield for controlled bond breaking in HOD Journal of Physical Chemistry A, 112 (22). pp. 4895-4905. ISSN 1089-5639

Sarma, Manabendra ; Adhikari, S. ; Mishra, Manoj K. (2008) An examination of the expectation value profiles for average stretch and momentum in O-H and O-D bonds of the HOD molecule to determine their role in selective photodissociation Journal of Physical Chemistry A, 112 (51). pp. 13302-13307. ISSN 1089-5639

Singh, Raman Kumar ; Sarma, Manabendra ; Jain, Ankit ; Adhikari, Satrajit ; Mishra, Manoj K. (2007) Calculation of vibrational excitation cross-sections in resonant electron-molecule scattering using the time-dependent wave packet (TDWP) approach with application to the ²Π CO^- shape resonance Journal of Chemical Sciences, 119 (5). pp. 385-389. ISSN 0253-4134

Sarma, Manabendra ; Adhikari, S. ; Mishra, Manoj K. (2007) Selective control of HOD photodissociation using CW lasers Journal of Chemical Sciences, 119 (5). pp. 377-384. ISSN 0253-4134

Sarma, Manabendra ; Adhikari, S. ; Mishra, Manoj K. (2007) Selective photodissociation of O-H and O-D bonds from ground vibrational state of HOD using simple UV pulses Journal of Chemical Physics, 127 (2). pp. 4305-4309. ISSN 0021-9606

Sarma, Manabendra ; Adhikari, S. ; Mishra, Manoj K. (2007) Simple systematization of vibrational excitation cross-section calculations for resonant electron-molecule scattering in the boomerang and impulse models Journal of Chemical Physics, 126 (4). 044309_1-044309_5. ISSN 0021-9606

Melin, Junia ; Singh, Raman K. ; Mishra, Manoj K. ; Ortiz, J. V. (2007) Tautomeric forms of azolide anions: vertical electron detachment energies and dyson orbitals Journal of Physical Chemistry A, 111 (50). pp. 13069-13074. ISSN 1089-5639

Melin, Junia ; Mishra, Manoj K. ; Ortiz, J. V. (2006) Electronic structure analysis and electron detachment energies of polynitrogen pentagonal aromatic anions Journal of Physical Chemistry A, 110 (44). pp. 12231-12235. ISSN 1089-5639

Yeager, Danny L. ; Mishra, Manoj K. (2005) Algebraic modifications to second quantization for non-Hermitian complex scaled hamiltonians with application to a quadratically convergent multiconfigurational self-consistent field method International Journal of Quantum Chemistry, 104 (6). pp. 871-879. ISSN 0020-7608

Sajeev, Y. ; Mishra, Manoj K. ; Vaval, Nayana ; Pal, Sourav (2004) Fock space multireference coupled cluster calculations based on an underlying bivariational self-consistent field on auger and shape resonances Journal of Chemical Physics, 120 (1). pp. 67-72. ISSN 0021-9606

Srikanth, K. ; Marathe, V. R. ; Mishra, Manoj K. (2002) Role of electronic structure of ruthenium polypyridyl dyes in the photoconversion efficiency of dye-sensitized solar cells: semiempirical investigation International Journal of Quantum Chemistry, 89 (6). pp. 535-549. ISSN 0020-7608

Mishra, Manoj K. ; Venkatnathan, Arun (2002) Treatment of shape and auger resonances using the dilated electron propagator International Journal of Quantum Chemistry, 90 (4). pp. 1334-1347. ISSN 0020-7608

Mahalakshmi, S. ; Venkatnathan, Arun ; Mishra, Manoj K. (2001) Application of higher order decouplings of the dilated electron propagator to ²ΠCO^-, ²Π_gN₂^- and ²Π_gC₂H₂^- shape resonances Journal of Chemical Physics, 115 (10). pp. 4549-4557. ISSN 0021-9606

Venkatnathan, Arun ; Mahalakshmi, S. ; Mishra, Manoj K. (2001) Higher order decouplings of the dilated electron propagator with applications to ²PBe^-, ²PMg^- shape and ²SBe⁺ (1s^-1) auger resonances Journal of Chemical Physics, 114 (1). pp. 35-47. ISSN 0021-9606

Venkatnathan, Arun ; Mishra, Manoj K. ; Jensen, Hans Jorgen Aa. (2000) An investigation of basis set effects in the characterization of electron - atom scattering resonances using the dilated electron propagator method Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 104 (6). pp. 4445-454. ISSN 1432-881X

Vandana, K. ; Mishra, Manoj K. (2000) A simplification of selective control using field optimized initial state with application to HI and IBr photodissociation Journal of Chemical Physics, 113 (6). pp. 2336-2342. ISSN 0021-9606

Vandana, K. ; Mishra, Manoj K. (1999) Photodynamic control using field optimized initial state: a mechanistic investigation of selective control with application to IBr and HI photodissociation Journal of Chemical Physics, 110 (11). pp. 5140-5148. ISSN 0021-9606

Mishra, Vandana K. ; Mishra, Manoj K. (1999) Selective photodynamic control of chemical reactions: a Rayleigh-Ritz variational approach Advances in Quantum Chemistry, 35 . pp. 261-281. ISSN 0065-3276

Venkatnathan, Arun ; Mishra, Manoj K. (1998) The ²Π_g shape resonance in electron-acetylene scattering: an investigation using the dilated electron propagator method Chemical Physics Letters, 296 (3-4). pp. 223-232. ISSN 0009-2614

Mahalakshmi, S. ; Mishra, Manoj K. (1998) The ²B₁ shape resonance in electron-formaldehyde scattering: an investigation using the dilated electron propagator method Chemical Physics Letters, 296 (1-2). pp. 43-50. ISSN 0009-2614

Vandana, K. ; Chakrabarti, N. ; Sathyamurthy, N. ; Mishra, Manoj K. (1998) Validation of photodissociation models using Raman excitation profiles: an application to IBr Chemical Physics Letters, 288 (2-4). pp. 545-552. ISSN 0009-2614

Mishra, Manoj K. ; Padmavathi, D. A. ; Rabitz, Herschel A. (1997) Assessing the options for identifying critically important potential surface regions: applications to nonadiabatic transitions International Journal of Quantum Chemistry, 63 (1). pp. 121-131. ISSN 0020-7608

Bairagi, Deepa B. ; Gross, Peter ; Mishra, Manoj K. (1997) Field-optimized initial state-based selective control of IBr photodissociation Journal of Physical Chemistry A, 101 (5). pp. 759-763. ISSN 1089-5639

Gupta, Ashish K. ; Gross, Peter ; Bairagi, Deepa B. ; Mishra, Manoj K. (1996) Laser control of population dynamics with bichromatic fields: direct search through field amplitude, frequency, and phase space Chemical Physics Letters, 257 (5-6). pp. 658-664. ISSN 0009-2614

Murali Krishna, K. ; Sharon, M. ; Mishra, M. K. ; Marathe, V. R. (1996) Selection of optimal mixing ratios to obtain suitable photoelectrodes from mixed semiconductors using band gap calculations Electrochimica Acta, 41 (13). pp. 1999-2004. ISSN 0013-4686

Bairagi, Deepa Basu ; Gupta, Ashish K. ; Gross, Peter ; Mishra, Manoj K. (1996) Investigation of photodynamics in intense laser fields using the fourier grid floquet propagator with applications to H₂⁺ and LiH Journal of Molecular Structure: Theochem, 361 (1-3). pp. 69-75. ISSN 0166-1280

Mishra, Manoj K. ; Medikeri, Milan N. (1996) Characterization of shape and auger resonances using the dilated one electron propagator method Advances in Quantum Chemistry, 27 . pp. 223-295. ISSN 0065-3276

Murali Krishna, K. ; Sharon, M. ; Mishra, M. K. (1996) Pb_1-xT_xO: a new photoactive phase Journal of Materials Science Letters, 15 (12). pp. 1084-1087. ISSN 0261-8028

Murali Krishna, K. ; Sharon, Maheshwar ; Mishra, M. K. (1995) Photoelectrochemical study of potentiodynamically anodized H₂-reduced PbTiO₃ + PbO mixed-oxide electrode in 0.1 M NaOH + 0.1 M Na₂SO₄ Journal of Electroanalytical Chemistry, 399 (1-2). pp. 53-60. ISSN 0022-0728

Medikeri, Milan N. ; Mishra, Manoj K. (1995) Lowest unoccupied molecular orbital as the resonant orbital. An investigation using the bi-variational self-consistent field method Chemical Physics Letters, 246 (1-2). pp. 26-32. ISSN 0009-2614

Murali Krishna, K. ; Sharon, Maheshwar ; Mishra, M. K. (1995) Preparation and characterization of a PbTiO₃ + PbO mixed-oxide photoelectrode Journal of Electroanalytical Chemistry, 391 (1-2). pp. 93-99. ISSN 0022-0728

Gross, Peter ; Gupta, Ashish ; Bairagi, Deepa B. ; Mishra, Manoj K. (1995) An efficient method for determining quantum dynamics in strong fields by integrating through amplitude and frequency parameter space Chemical Physics Letters, 236 (1-2). pp. 8-14. ISSN 0009-2614

Mazziotti, David A. ; Mishra, Manoj K. ; Rabitz, Herschel A. (1995) Energy eigenvalues and eigenvectors for bound quantum systems using parametric equations of motion Journal of Physical Chemistry A, 99 (1). pp. 112-117. ISSN 1089-5639

Padmavathi, D. A. ; Mishra, Manoj K. ; Rabitz, Herschel (1995) A probe of dynamical models using functional sensitivity densities with application to He⁺+Ne(2p⁶)→He+Ne(2p⁵3s) and Li+I→Li⁺+I^- Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 90 (5). pp. 323-329. ISSN 1432-881X

Padmavathi, D. A. ; Mishra, Manoj K. ; Rabitz, Herschel (1994) Isolation of the regions of potential significance in fine-structure transitions using adiabatic and functional sensitivity analyses: a comparative investigation with application to Na(²P_1/2)+He→Na(²P_3/2)+He and Na(²P_1/2)+Ar→Na(²P_3/2)+Ar Physical Review A, 50 (4). pp. 3412-3150. ISSN 1050-2947

Gross, Peter ; Bairagi, Deepa B. ; Mishra, Manoj K. ; Rabitz, Herschel (1994) Optimal control of IBr curve-crossing reactions Chemical Physics Letters, 223 (3). pp. 263-268. ISSN 0009-2614

Mishra, Manoj K. ; Yetter, Richard ; Reuven, Yakir ; Rabitz, Herschel ; Smooke, Mitchell D. (1994) On the role of transport in the combustion kinetics of a steady-state premixed laminar CO + H₂ + O₂ flame International Journal of Chemical Kinetics, 26 (4). pp. 437-453. ISSN 0538-8066

Medikeri, Milan N. ; Mishra, Manoj K. (1994) Treatment of Be⁺ (1s^-1)²S auger resonance with different decouplings of the dilated electron propagator Proceedings of the Indian Academy of Sciences - Chemical Sciences, 106 (2). pp. 111-121. ISSN 0253-4134

Medikeri, Milan N. ; Mishra, Manoj K. (1994) Treatment of molecular resonances using the bi-orthogonal dilated electron propagator with application to the ²II_g shape resonance in e-N₂ scattering International Journal of Quantum Chemistry, 52 (S28). pp. 29-37. ISSN 0020-7608

Padmavathi, D. A. ; Rabitz, Herschel ; Mishra, Manoj K. (1994) On the role of potential features in fine-structure transitions with application to H⁺+F(²P½ →F(²P3/2) Chemical Physics, 179 (3). pp. 469-478. ISSN 0301-0104

Medikeri, Milan N. ; Nair, Jayraman ; Mishra, Manoj K. (1994) On the orbital picture of shape resonances using Feynman-Dyson amplitudes from different decouplings of the dilated electron propagator Journal of Chemical Physics, 100 (3). pp. 2044-2051. ISSN 0021-9606

Medikeri, Milan N. ; Mishra, Manoj K. (1993) Quasiparticle approximation to the dilated electron propagator with application to ²P shape resonances in e-Be and e-Ca scattering Chemical Physics Letters, 211 (6). pp. 607-612. ISSN 0009-2614

Padmavathi, D. A. ; Mishra, Manoj K. ; Rabitz, Herschel (1993) Role of potential structure in nonadiabatic collisions with applications to He⁺+Ne(2p⁶)→He⁺+Ne(2p⁵3s) and Na+I→Na⁺+I^- Physical Review A, 48 (1). pp. 279-285. ISSN 1050-2947

Padmavathi, D. A. ; Mishra, Manoj K. ; Rabitz, Herschel (1993) Role of potential structure in the collisional excitation of metastable O(¹D) atoms Physical Review A, 48 (1). pp. 286-291. ISSN 1050-2947

Medikeri, Milan N. ; Nair, Jayraman ; Mishra, Manoj K. (1993) The two-particle one hole-Tamm-Dancoff approximation (2ph-TDA) decoupling of the dilated electron propagator with application to ²P shape resonances in e-Be, e-Mg, and e-Ca scattering Journal of Chemical Physics, 99 (3). pp. 1869-1874. ISSN 0021-9606

Murali Krishna, K. ; Pai, V. A. ; Marathe, V. R. ; Sharon, M. ; Mishra, Manoj K. (1990) A theoretical approach to the design of reduced band gap noncorrosive electrodes for photoelectrochemical solar cells International Journal of Quantum Chemistry, 38 (S24). pp. 419-427. ISSN 0020-7608