Items where Author is "Giri, Santanab"

Ghara, Manas ; Giri, Santanab ; Das, Prasenjit ; Chattaraj, Pratim Kumar (2022) Possible C-F bond activation by B(C6F5)3/lutidine and Al(C6F5)3/lutidine frustrated Lewis pair: an in silico study Journal of Chemical Sciences, 134 (1). ISSN 0974-3626

Jha, Ruchi ; Giri, Santanab ; Chattaraj, Pratim K. (2021) Does confinement alter the ionization energy and electron affinity of atoms? The European Physical Journal D, 75 (3). ISSN 1434-6060

Jha, Ruchi ; Giri, Santanab ; Chattaraj, Pratim K. (2021) Effect of confinement on the behavior of superhalogen and superalkali Computational and Theoretical Chemistry, 1206 . p. 113491. ISSN 2210271X

Ghara, Manas ; Giri, Santanab ; Chattaraj, Pratim Kumar (2020) Cycloaddition Reactions between H2C = CHR (R = H, CN, CH3) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study The Journal of Physical Chemistry A, 124 (22). pp. 4455-4462. ISSN 1089-5639

Mandal, Subhajit ; Pan, Sudip ; Deb, Dibakar ; Giri, Santanab ; Duley, Soma ; Radenković, Slavko ; Cooper, David L. ; Bultinck, Patrick ; Anoop, Anakuthil ; Bhattacharjee, Manish ; Chattaraj, Pratim K. (2015) Three-dimensional networks containing rectangular Sr4and Ba4units: Synthesis, structure, bonding, and potential application for Ne gas separation International Journal of Quantum Chemistry, 115 (20). pp. 1501-1510. ISSN 00207608

Mondal, Sukanta ; Giri, Santanab ; Chattaraj, Pratim Kumar (2013) Methane hydrates and their HF doped analogues Chemical Physics Letters, 578 . pp. 110-114. ISSN 00092614

Mondal, Sukanta ; Giri, Santanab ; Chattaraj, Pratim K. (2013) Possibility of Having HF-Doped Hydrogen Hydrates The Journal of Physical Chemistry C, 117 (22). pp. 11625-11634. ISSN 1932-7447

Bandaru, Sateesh ; Chakraborty, Arindam ; Giri, Santanab ; Chattaraj, Pratim K. (2012) Toward analyzing some neutral and cationic boron-lithium clusters (B_xLi_yx=2-6; y=1,2) as effective hydrogen storage materials: a conceptual density functional study International Journal of Quantum Chemistry, 112 (3). pp. 695-702. ISSN 0020-7608

Giri, Santanab ; Chakraborty, Arindam ; Duley, Soma ; Merino, Gabriel ; Subramanian, Venkatesan ; Chattaraj, Pratim Kumar (2012) Analysis of the structure, bonding, aromaticity and existence of possible bond-stretch isomerism in trigonal anionic metal clusters, X_¯3(X = Be,Mg,Ca) In: Conference Proceedings.

Gupta, Kartick ; Giri, Santanab ; Chattaraj, P. K. (2012) Charge-based DFT descriptors for Diels-Alder reactions Journal of Physical Organic Chemistry, 26 (2). pp. 187-193. ISSN 08943230

Chattaraj, Pratim Kumar ; Giri, Santanab ; Duley, Soma (2012) Comment on “Ruling Out Any Electrophilicity Equalization Principle” The Journal of Physical Chemistry A, 116 (1). pp. 790-791. ISSN 1089-5639

Giri, Santanab ; Chakraborty, Arindam ; Gupta, Ashutosh Kumar ; Roy, Debesh Ranjan ; Vijayaraj, Ramadoss ; Parthasarathi, Ramakrishnan ; Subramanian, Venkatesan ; Chattaraj, Pratim (2012) Modeling Ecotoxicity as Applied to some Selected Aromatic Compounds Advanced Methods and Applications in Chemoinformatics: Research Progress and New Applications . pp. 1-24.

Chakraborty, Arindam ; Bandaru, Sateesh ; Das, Ranjita ; Duley, Soma ; Giri, Santanab ; Goswami, Koushik ; Mondal, Sukanta ; Pan, Sudip ; Sen, Soumya ; Chattaraj, Pratim K. (2012) Some novel molecular frameworks involving representative elements Physical Chemistry Chemical Physics, 14 (43). p. 14784. ISSN 1463-9076

Chakraborty, Arindam ; Das, Ranjita ; Giri, Santanab ; Chattaraj, Pratim Kumar (2011) Net reactivity index (ΔωR^±) Journal of Physical Organic Chemistry, 24 (9). pp. 854-864. ISSN 0894-3230.

Jaccob, M. ; Sheeba Jem, I. ; Giri, Santanab ; Venuvanalingam, P. ; Chattaraj, P. K. (2011) Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes Journal of Physical Organic Chemistry, 24 (6). pp. 460-465. ISSN 0894-3230

Duley, Soma ; Giri, Santanab ; Sathyamurthy, Narayanasami ; Islas, Rafael ; Merino, Gabriel ; Chattaraj, Pratim Kumar (2011) Aromaticity and hydrogen storage capability of planar N₆⁴⁻ and N₆²⁻ rings Chemical Physics Letters, 506 (4-6). pp. 315-320. ISSN 0009-2614

Chakraborty, Arindam ; Giri, Santanab ; Chattaraj, Pratim Kumar (2011) Analyzing the efficiency of M_n-(C₂H₄) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials Structural Chemistry, 22 (4). pp. 823-837. ISSN 1040-0400

Chattaraj, Pratim Kumar ; Das, Ranjita ; Duley, Soma ; Giri, Santanab (2011) Aromaticity and conceptual density functional theory Chemical Modelling: Applications and Theory Volume 8, 8 . pp. 45-98. ISSN 1472-0973

Chakraborty, Arindam ; Giri, Santanab ; Duley, Soma ; Anoop, Anakuthil ; Bultinck, Patrick ; Chattaraj, Pratim K. (2011) Aromaticity in all-metal annular systems: the counter-ion effect PCCP: Physical Chemistry Chemical Physics, 13 (33). pp. 14865-14878. ISSN 1463-9076

Giri, Santanab ; Bandaru, Sateesh ; Chakraborty, Arindam ; Chattaraj, Pratim K. (2011) Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa PCCP: Physical Chemistry Chemical Physics, 13 (46). pp. 20602-20614. ISSN 1463-9076

Giri, Santanab ; Chakraborty, Arindam ; Chattaraj, PratimK. (2011) Stability and aromaticity of nH2@B12N12(n=1–12) clusters Nano Reviews, 2 (1). p. 5767. ISSN 2000-5121

Bandaru, Sateesh ; Chakraborty, Arindam ; Giri, Santanab ; Chattaraj, Pratim K. (2011) Toward analyzing some neutral and cationic boron-lithium clusters (B x Li y x = 2-6; y = 1, 2) as effective hydrogen storage materials: A conceptual density functional study International Journal of Quantum Chemistry, 112 (3). pp. 695-702. ISSN 00207608

Gupta, Ashutosh Kumar ; Chakraborty, Arindam ; Giri, Santanab ; Subramanian, Venkatesan ; Chattaraj, Pratim (2011) Toxicity of halogen, sulfur and chlorinated aromatic compounds: a quantitative-structure-toxicity-relationship (QSTR) International Journal of Chemoinformatics and Chemical Engineering, 1 (1). pp. 61-74. ISSN 2155-4110

Gupta, Ashutosh ; Chakraborty, Arindam ; Giri, Santanab ; Subramanian, Venkatesan ; Chattaraj, Pratim Kumar (2011) Toxicity of halogen, sulfur and chlorinated aromatic compounds:A quantitative structure toxicity relationship (QSTR) based study International Journal of Chemoinformatics and Chemical Engineering, 1 (1). pp. 61-74. ISSN 2155-4110

Chattaraj, Pratim Kumar ; Giri, Santanab ; Duley, Soma (2011) Update 2 of: Electrophilicity Index Chemical Reviews, 111 (2). PR43-PR75. ISSN 0009-2665

Pan, Sudip ; Giri, Santanab ; Chattaraj, Pratim K. (2011) A computational study on the hydrogen adsorption capacity of various lithium-Doped boron hydrides Journal of Computational Chemistry, 33 (4). pp. 425-434. ISSN 01928651

Deb, Dibakar ; Giri, Santanab ; Chattaraj, Pratim K. ; Bhattacharjee, Manish (2010) Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li₆ rings: experimental and computational studies Journal of Physical Chemistry, 114 (40). pp. 10871-10877. ISSN 0022-3654

Giri, Santanab ; Roy, Debesh Ranjan ; Duley, Soma ; Chakraborty, Arindam ; Parthasarathi, Ramakrishnan ; Elango, Munusamy ; Vijayaraj, Ramadoss ; Subramanian, Venkatesan ; Islas, Rafael ; Merino, Gabriel ; Chattaraj, Pratim Kumar (2010) Bonding, aromaticity, and structure of trigonal dianion metal clusters Journal of Computational Chemistry, 31 (9). pp. 1815-1821. ISSN 0192-8651

Giri, Santanab ; Wang, David Zhigang ; Chattaraj, Pratim Kumar (2010) Catalyst electronic polarizability and enantiomeric excess in asymmetric hydrogenation Tetrahedron, 66 (25). pp. 4560-4563. ISSN 0040-4020

Giri, Santanab ; Chakraborty, Arindam ; Chattaraj, Pratim Kumar (2010) Potential use of some metal clusters as hydrogen storage materials-a conceptual DFT approach Journal of Molecular Modeling . ISSN 1610-2940

Chattaraj, Pratim Kumar ; Giri, Santanab ; Duley, Soma (2010) Electrophilicity equalization principle Journal of Physical Chemistry letters, 01 (7). pp. 1064-1067. ISSN 1089-5639

Adhikary, Sirsendu Das ; Samanta, Tapastaru ; Roymahapatra, Gourisankar ; Loiseau, Frédérique ; Jouvenot, Damien ; Giri, Santanab ; Chattaraj, Pratim K. ; Dinda, Joydev (2010) Synthesis, structure and electrochemical behaviour of Ru(II)- and Pt(II)-carbene complexes of the NCN-pincer 1,3-bis(2-pyridylmethyl)-1H-benzimidazolium chloride New Journal of Chemistry, 34 (9). pp. 1974-1980. ISSN 1144-0546

Chakraborty, Arindam ; Giri, Santanab ; Chattaraj, Pratim Kumar (2010) Trapping of noble gases (He-Kr) by the aromatic H₃⁺ and Li₃⁺ species: a conceptual DFT approach New Journal of Chemistry, 34 (46). pp. 1936-1945. ISSN 1144-0546

Duley, Soma ; Chakraborty, Arindam ; Giri, Santanab ; Chattaraj, Pratim K. (2010) A conceptual density functional study of structure, bonding, reactivity and the possibility of bond-stretch isomerism in some neutral sulfur clusters, S_n (n=3-8) Journal of Sulfur Chemistry, 31 (4). pp. 231-246. ISSN 1741-5993

Duley, Soma ; Goyal, Puja ; Giri, Santanab ; Chattaraj, Pratim Kumar (2009) Bonding, reactivity and aromaticity in some beryllocene derivatives Croatica Chemica Acta, 82 (1). pp. 193-205. ISSN 0011-1643

Roy, Debesh R. ; Giri, Santanab ; Chattaraj, Pratim K. (2009) Arsenic toxicity: an atom counting and electrophilicity-based protocol Molecular Diversity, 13 (4). pp. 551-556. ISSN 1381-1991

Chattaraj, Pratim Kumar ; Giri, Santanab (2009) Electrophilicity index within a conceptual DFT framework Annual Reports on the Progress of Chemistry, Part C: Physical Chemistry, 105 . pp. 13-39. ISSN 0260-1826

Chattaraj, Pratim Kumar ; Chakraborty, Arindam ; Giri, Santanab (2009) Net electrophilicity Journal of Physical Chemistry A, 113 (37). pp. 10068-10074. ISSN 1089-5639

Giri, Santanab ; Roy, Dehesh R. ; Damme, Sofie Van ; Bultinck, Patrick ; Subramanian, Venkatesan ; Chattaraj, Pratim K. (2008) An atom counting QSPR protocol QSAR & Combinatorial Science, 27 (2). pp. 208-230. ISSN 0931-8771

Gupta, Kartick ; Giri, Santanab ; Chattaraj, Pratim K. (2008) Acidity of meta- and para-substituted aromatic acids: a conceptual DFT study New Journal of Chemistry, 32 (11). pp. 1945-1952. ISSN 1144-0546

Giri, Santanab ; Roy, Debesh R. ; Van Damme, Sofie ; Bultinck, Patrick ; Subramanian, Venkatesan ; Chattaraj, Pratim K. (2008) An Atom Counting QSPR Protocol QSAR & Combinatorial Science, 27 (3). p. 398. ISSN 1611020X

Chattaraj, Pratim Kumar ; Giri, Santanab (2007) Stability, reactivity, and aromaticity of compounds of a multivalent superatom Journal of Physical Chemistry A, 111 (43). pp. 11116-11121. ISSN 1089-5639