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Santanab Giri - Publications

Affiliations: 
2014-2015 National Institute of Technology Warangal 
 2015- National Institute of Technology Rourkela 
Area:
Theoretical Computational Chemistry; Metal cluster; Cluster assembly, Superatoms
Website:
https://sites.google.com/site/santanabgiri/acedemic-profile
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Year Citation  Score
2021 Inostroza-Rivera R, Parida R, Nambiar S, Giri S. Zintl Lewis Superacids: Al(GeL) (L = H, CH, CHO, CN). The Journal of Physical Chemistry. A. PMID 33760618 DOI: 10.1021/acs.jpca.1c00671  0.674
2020 Parida R, Ganguly S, Das G, Giri S. Density Functional Treatment on Alkylation of Functionalized Deltahedral Zintl Cluster. The Journal of Physical Chemistry. A. PMID 32786962 DOI: 10.1021/Acs.Jpca.0C03254  0.735
2020 Ghara M, Giri S, Chattaraj PK. Cycloaddition Reactions between HC = CHR (R = H, CN, CH) and a Cyclic P/B Frustrated Lewis Pair: A DFT Study. The Journal of Physical Chemistry. A. PMID 32383876 DOI: 10.1021/Acs.Jpca.0C02799  0.553
2020 Parida R, Nambiar SR, Reddy GN, Giri S. Designing aromatic heterocyclic superacids in terms of Brønsted and Lewis perspectives. Physical Chemistry Chemical Physics : Pccp. PMID 31912831 DOI: 10.1039/C9Cp06054E  0.746
2020 Kajiwara K, Pradhan S, Haraguchi T, Sinha C, Parida R, Giri S, Roymahaptra G, Akitsu T. Photo-Tunable Azobenzene-Anthraquinone Schiff Base Copper Complexes as Mediators for Laccase in Biofuel Cell Cathode Symmetry. 12: 797. DOI: 10.3390/Sym12050797  0.695
2020 Ghosh MK, Giri S, Ghorai TK. Single pot reaction of Co(III) and Ni(II) hydrogen-bonded organic frameworks and multidisciplinary application in dye adsorption, separation and DNA binding Journal of Molecular Structure. 1206: 127727. DOI: 10.1016/J.Molstruc.2020.127727  0.366
2020 Naaresh Reddy G, Parida R, Muñoz-Castro A, Jana M, Giri S. Doped deltahedral organo-Zintl superalkali cations Chemical Physics Letters. 759: 137952. DOI: 10.1016/J.Cplett.2020.137952  0.718
2020 Parida R, Reddy GN, Osorio E, Muñoz-Castro A, Mondal S, Giri S. Unique magnetic shielding and bonding in Pnicogen nortricyclane Zintl clusters Chemical Physics Letters. 749: 137414. DOI: 10.1016/J.Cplett.2020.137414  0.691
2020 Jana S, Prajapati S, Suryavanshi KK, Goswami S, Parida R, Giri S. Creatinine recognition using designed synthetic receptors Journal of Physical Organic Chemistry. 33. DOI: 10.1002/Poc.4066  0.648
2019 Parida R, Giri S. Insights into the activation process of CO through Dihydrogenation reaction. Journal of Molecular Modeling. 25: 334. PMID 31705316 DOI: 10.1007/S00894-019-4210-5  0.69
2019 Yadav M, Fang H, Giri S, Jena P. Ligand stabilization of manganocene dianions - in defiance of the 18-electron rule. Physical Chemistry Chemical Physics : Pccp. PMID 31524210 DOI: 10.1039/C9Cp02331C  0.515
2019 Reddy GN, Parida R, Inostroza-Rivera R, Chakraborty A, Jena P, Giri S. Unique reactivity of B in B[GeY] (Y = H, CH, BO, CN): formation of a Lewis base. Physical Chemistry Chemical Physics : Pccp. PMID 31490523 DOI: 10.1039/C9Cp04361F  0.772
2019 Parida R, Reddy GN, Inostroza-Rivera R, Chakraborty A, Giri S. Tailoring the properties of manganocene: formation of magnetic superalkali/superhalogen. Journal of Molecular Modeling. 25: 218. PMID 31292761 DOI: 10.1007/S00894-019-4100-X  0.746
2019 Reddy GN, Parida R, Jena P, Jana M, Giri S. Superhalogens as Building Blocks of Super Lewis Acids. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30989750 DOI: 10.1002/Cphc.201900267  0.77
2019 Parida R, Reddy GN, Chakraborty A, Giri S, Jana M. A New Class of Superhalogen Based Anion Receptor in Li-ion Battery Electrolytes. Journal of Chemical Information and Modeling. PMID 30794403 DOI: 10.1021/Acs.Jcim.9B00035  0.749
2019 Kajiwara K, Yamane S, Haraguchi T, Pradhan S, Sinha C, Parida R, Giri S, Roymahaptra G, Moon D, Akitsu T. Computational Design of Azo-anthraquinone Schiff Base Mn Complexes as Mediators for Biofuel Cell Cathode Journal of Chemistry and Chemical Engineering. 13. DOI: 10.17265/1934-7375/2019.01.003  0.676
2019 Parida R, Das S, Karas LJ, Wu JI, Roymahapatra G, Giri S. Superalkali ligands as a building block for aromatic trinuclear Cu(i)–NHC complexes Inorganic Chemistry Frontiers. 6: 3336-3344. DOI: 10.1039/C9Qi00873J  0.752
2019 Dewangan S, Barik T, Parida R, Mawatwal S, Dhiman R, Giri S, Chatterjee S. Solvent free synthesis of ferrocene based rhodamine – hydrazone molecular probe with improved bioaccumulation for sensing and imaging applications Journal of Organometallic Chemistry. 904: 120999. DOI: 10.1016/J.Jorganchem.2019.120999  0.692
2019 Chakraborty A, Reddy GN, Jana M, Giri S. [8] Cyclo-1, 4-naphthylene: A possible new member in hole transport family Chemical Physics Letters. 715: 153-159. DOI: 10.1016/J.Cplett.2018.11.008  0.502
2019 Dewangan S, Mishra S, Mawatwal S, Dhiman R, Parida R, Giri S, Wölper C, Chatterjee S. Synthesis of Ferrocene Tethered Heteroaromatic Compounds Using Solid Supported Reaction Method, their Cytotoxic Evaluation and Fluorescence Behavior. Chemistryselect. 4: 4434-4442. DOI: 10.1002/SLCT.201901088  0.644
2018 Reddy GN, Kumar AV, Parida R, Chakraborty A, Giri S. Zintl superalkalis as building blocks of supersalts. Journal of Molecular Modeling. 24: 306. PMID 30291446 DOI: 10.1007/S00894-018-3806-5  0.745
2018 Reddy GN, Parida R, Chakraborty A, Giri S. Deltahedral Organo-Zintl Superhalogens. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 30011359 DOI: 10.1002/Chem.201802713  0.77
2018 Parida R, Reddy GN, Ganguly A, Roymahapatra G, Chakraborty A, Giri S. On the making of aromatic organometallic superalkali complexes. Chemical Communications (Cambridge, England). PMID 29610800 DOI: 10.1039/C8Cc01170B  0.751
2018 Parida R, Giri S. Negative influence of pKa on activation energy barrier: A case study for double proton transfer reaction in inorganic acid dimers. Journal of Computational Chemistry. PMID 29424042 DOI: 10.1002/Jcc.25177  0.693
2017 Reddy GN, Parida R, Giri S. Functionalized deltahedral Zintl complexes Ge9R3 (R = CF3, CN, and NO2): a new class of superhalogens. Chemical Communications (Cambridge, England). 53: 13229-13232. PMID 29182179 DOI: 10.1039/C7Cc08120K  0.771
2017 Giri S, Parida R, Jana M, Gutierrez-Oliva S, Toro-Labbé A. Insights into the Mechanism of Ground and Excited State Double Proton Transfer Reaction in Formic Acid Dimer. The Journal of Physical Chemistry. A. PMID 29154544 DOI: 10.1021/Acs.Jpca.7B09819  0.737
2017 Naaresh Reddy G, Parida R, Giri S. Li@organic superhalogens: possible electrolytes in Li-ion batteries. Chemical Communications (Cambridge, England). PMID 28829461 DOI: 10.1039/C7Cc05317G  0.686
2017 Mohanta D, Santra S, Reddy GN, Giri S, Jana M. Residue Specific Interaction of an Unfolded Protein with Solvents In Mixed Water-Ethanol Solutions: A Combined Molecular Dynamics and ONIOM Study. The Journal of Physical Chemistry. A. PMID 28726407 DOI: 10.1021/Acs.Jpca.7B05955  0.454
2017 Rajamouli B, Dwaraka Viswanath CS, Giri S, Jayasankar CK, Sivakumar V. Carbazole functionalized new bipolar ligand for monochromatic red light-emitting europium(iii) complex: combined experimental and theoretical study New Journal of Chemistry. 41: 3112-3123. DOI: 10.1039/C6Nj03947B  0.315
2017 Boddhula R, Ghosh A, Wölper C, Mobin SM, Giri S, Chatterjee S. Synthesis and structure of open and closed type iron telluride – stibine cluster compounds Journal of Organometallic Chemistry. 851: 22-29. DOI: 10.1016/J.Jorganchem.2017.08.022  0.307
2017 Reddy GN, Jena P, Giri S. Organo−Zintl-based superatoms: [Ge9(CHO)3] and [Ge9(CHO)] Chemical Physics Letters. 686: 195-202. DOI: 10.1016/J.Cplett.2017.08.056  0.636
2017 Rout L, Kumar A, Dhaka RS, Reddy GN, Giri S, Dash P. Bimetallic Au-Cu alloy nanoparticles on reduced graphene oxide support: Synthesis, catalytic activity and investigation of synergistic effect by DFT analysis Applied Catalysis a: General. 538: 107-122. DOI: 10.1016/J.Apcata.2017.03.017  0.476
2017 Reddy GN, Giri S. M3 NiAu5 [M= Na, K]: A Possible All Metal Magnetic Zintl Phase Chemistryselect. 2: 1530-1532. DOI: 10.1002/SLCT.201602063  0.372
2017 Panda N, Yadav SA, Giri S. Palladium-Catalyzed Oxidative Sulfamidation: A Stereoselective Synthesis for Enesulfonamides Advanced Synthesis & Catalysis. 359: 654-662. DOI: 10.1002/Adsc.201601048  0.326
2016 Teprovich JA, Washington AL, Dixon J, Ward PA, Christian JH, Peters B, Zhou J, Giri S, Sharp DN, Velten JA, Compton RN, Jena P, Zidan R. Investigation of hydrogen induced fluorescence in C60 and its potential use in luminescence down shifting applications. Nanoscale. PMID 27801449 DOI: 10.1039/C6Nr05998H  0.519
2016 Reddy GN, Giri S. Organic heterocyclic molecules become superalkalis. Physical Chemistry Chemical Physics : Pccp. PMID 27530344 DOI: 10.1039/C6Cp04430A  0.54
2016 Giri S, Reddy GN, Jena P. Organo-Zintl Clusters [P7R4]: A New Class of Superalkalis. The Journal of Physical Chemistry Letters. 7: 800-5. PMID 26882875 DOI: 10.1021/Acs.Jpclett.5B02892  0.659
2016 Reddy GN, Giri S. Super/hyperhalogen aromatic heterocyclic compounds Rsc Advances. 6: 47145-47150. DOI: 10.1039/C6Ra08625J  0.533
2016 Giri S, Inostroza-Rivera R, Jana M. The Beckmann rearrangement in the framework of reaction electronic flux Theoretical Chemistry Accounts. 136. DOI: 10.1007/S00214-016-2025-3  0.326
2016 Mishra S, Dewangan S, Giri S, Mobin SM, Chatterjee S. Synthesis of Diferrocenyl Hydrazone-Enone Receptor Molecules - Electronic Communication, Metal Binding, and DFT Study European Journal of Inorganic Chemistry. 2016: 5485-5496. DOI: 10.1002/Ejic.201601072  0.336
2016 Rajamouli B, Sood P, Giri S, Krishnan V, Sivakumar V. A Dual-Characteristic Bidentate Ligand for a Ternary Mononuclear Europium(III) Molecular Complex – Synthesis, Photophysical, Electrochemical, and Theoretical Study European Journal of Inorganic Chemistry. 2016: 3900-3911. DOI: 10.1002/Ejic.201600508  0.354
2015 Yan Y, Remhof A, Rentsch D, Züttel A, Giri S, Jena P. A novel strategy for reversible hydrogen storage in Ca(BH4)2. Chemical Communications (Cambridge, England). 51: 11008-11. PMID 26008181 DOI: 10.1039/C5Cc03605D  0.444
2015 Giri S, Child BZ, Zhou J, Jena P. Unusual stability of multiply charged organo-metallic complexes Rsc Advances. 5: 44003-44008. DOI: 10.1039/C5Ra04344A  0.547
2015 Mandal S, Pan S, Deb D, Giri S, Duley S, Radenkovic S, Cooper DL, Bultinck P, Anoop A, Bhattacharjee M, Chattaraj PK. Three-dimensional networks containing rectangular Sr4 and Ba4 units: Synthesis, structure, bonding, and potential application for Ne gas separation International Journal of Quantum Chemistry. 115: 1501-1509. DOI: 10.1002/Qua.24970  0.53
2014 Giri S, Behera S, Jena P. Superhalogens as building blocks of halogen-free electrolytes in lithium-ion batteries. Angewandte Chemie (International Ed. in English). 53: 13916-9. PMID 25314685 DOI: 10.1002/Anie.201408648  0.525
2014 Zhou J, Giri S, Jena P. 18-Electron rule inspired Zintl-like ions composed of all transition metals. Physical Chemistry Chemical Physics : Pccp. 16: 20241-7. PMID 25139391 DOI: 10.1039/C4Cp03141E  0.538
2014 Giri S, Inostroza-Rivera R, Herrera B, Núñez AS, Lund F, Toro-Labbé A. The mechanism of Menshutkin reaction in gas and solvent phases from the perspective of reaction electronic flux. Journal of Molecular Modeling. 20: 2353. PMID 25135065 DOI: 10.1007/S00894-014-2353-Y  0.742
2014 O'Neal KR, Brinzari TV, Wright JB, Ma C, Giri S, Schlueter JA, Wang Q, Jena P, Liu Z, Musfeldt JL. Pressure-induced magnetic crossover driven by hydrogen bonding in CuF₂(H₂O)₂(3-chloropyridine). Scientific Reports. 4: 6054. PMID 25116701 DOI: 10.1038/Srep06054  0.479
2014 Giri S, Child BZ, Jena P. Organic superhalogens. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2903-8. PMID 25056518 DOI: 10.1002/cphc.201402472  0.459
2014 Child BZ, Giri S, Gronert S, Jena P. Aromatic superhalogens. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 4736-45. PMID 24644250 DOI: 10.1002/chem.201305057  0.501
2014 Giri S, Behera S, Jena P. Superalkalis and superhalogens as building blocks of supersalts. The Journal of Physical Chemistry. A. 118: 638-45. PMID 24383446 DOI: 10.1021/Jp4115095  0.544
2014 Liu Y, Giri S, Zhou J, Jena P. Intermediate Phases during Decomposition of Metal Borohydrides, M(BH4)n (M = Na, Mg, Y) The Journal of Physical Chemistry C. 118: 28456-28461. DOI: 10.1021/Jp509223D  0.487
2014 Giri S, Moore CH, Mcleskey JT, Jena P. Origin of Red Shift in the Photoabsorption Peak in MEH–PPV Polymer The Journal of Physical Chemistry C. 118: 13444-13450. DOI: 10.1021/JP5030069  0.326
2014 Giri S, Behera S, Jena P. Superalkalis and superhalogens as building blocks of supersalts Journal of Physical Chemistry A. 118: 638-645. DOI: 10.1021/jp4115095  0.486
2014 Child BZ, Giri S, Gronert S, Jena P. Corrigendum: Aromatic Superhalogens Chemistry - a European Journal. 20: 6213-6213. DOI: 10.1002/Chem.201400437  0.49
2014 Giri S, Behera S, Jena P. Back Cover: Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries (Angew. Chem. Int. Ed. 50/2014) Angewandte Chemie International Edition. 53: 13942-13942. DOI: 10.1002/Anie.201409947  0.469
2014 Giri S, Behera S, Jena P. Rücktitelbild: Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries (Angew. Chem. 50/2014) Angewandte Chemie. 126: 14162-14162. DOI: 10.1002/Ange.201409947  0.469
2013 Mondal S, Giri S, Chattaraj PK. Possibility of Having HF-Doped Hydrogen Hydrates The Journal of Physical Chemistry C. 117: 11625-11634. DOI: 10.1021/Jp401342R  0.544
2013 Giri S, Lund F, Núñez AS, Toro-Labbé A. Can Starlike C6Li6 be Treated as a Potential H2 Storage Material? The Journal of Physical Chemistry C. 117: 5544-5551. DOI: 10.1021/Jp3095819  0.558
2013 Mondal S, Giri S, Chattaraj PK. Methane hydrates and their HF doped analogues Chemical Physics Letters. 578: 110-114. DOI: 10.1016/J.Cplett.2013.06.017  0.493
2012 Giri S, Echegaray E, Ayers PW, Nuñez AS, Lund F, Toro-Labbé A. Insights into the mechanism of an S(N)2 reaction from the reaction force and the reaction electronic flux. The Journal of Physical Chemistry. A. 116: 10015-26. PMID 22974407 DOI: 10.1021/Jp3076707  0.564
2012 Chakraborty A, Bandaru S, Das R, Duley S, Giri S, Goswami K, Mondal S, Pan S, Sen S, Chattaraj PK. Some novel molecular frameworks involving representative elements. Physical Chemistry Chemical Physics : Pccp. 14: 14784-802. PMID 22777087 DOI: 10.1039/C2Cp41424D  0.539
2012 Roymahapatra G, Mandal SM, Porto WF, Samanta T, Giri S, Dinda J, Franco OL, Chattaraj PK. Pyrazine functionalized Ag(I) and Au(I)-NHC complexes are potential antibacterial agents. Current Medicinal Chemistry. 19: 4184-93. PMID 22680631 DOI: 10.2174/092986712802430090  0.483
2012 Chattaraj PK, Giri S, Duley S. Comment on "Ruling out any electrophilicity equalization principle". The Journal of Physical Chemistry. A. 116: 790-1; discussion 79. PMID 22191801 DOI: 10.1021/Jp208541X  0.453
2012 Pan S, Giri S, Chattaraj PK. A computational study on the hydrogen adsorption capacity of various lithium-doped boron hydrides. Journal of Computational Chemistry. 33: 425-34. PMID 22121031 DOI: 10.1002/Jcc.21985  0.522
2012 Srinivasu K, Ghosh SK, Das R, Giri S, Chattaraj PK. Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters Rsc Advances. 2: 2914. DOI: 10.1039/C2Ra00643J  0.531
2012 Roymahapatra G, Giri S, Danopoulos AA, Chattaraj PK, Mahapatra A, Bertolasi V, Dinda J. Pd(II)–N-heterocyclic carbene complexes of 2,6-bis{N-methyl-(imidazolium/benzimidazolium)}pyrazinechloride: Synthesis, structure, catalysis and theoretical studies Inorganica Chimica Acta. 383: 83-90. DOI: 10.1016/J.Ica.2011.10.053  0.508
2012 Gupta K, Giri S, Chattaraj PK. Charge-based DFT descriptors for Diels-Alder reactions Journal of Physical Organic Chemistry. 26: 187-193. DOI: 10.1002/Poc.2987  0.545
2012 Srinivasu K, Ghosh SK, Das R, Giri S, Chattaraj PK. ChemInform Abstract: Theoretical Investigation of Hydrogen Adsorption in All-Metal Aromatic Clusters. Cheminform. 43: no-no. DOI: 10.1002/CHIN.201223007  0.441
2011 Giri S, Chakraborty A, Chattaraj PK. Stability and aromaticity of nH(2)@B(12)N(12) (n=1-12) clusters. Nano Reviews. 2. PMID 22110872 DOI: 10.3402/Nano.V2I0.5767  0.525
2011 Giri S, Bandaru S, Chakraborty A, Chattaraj PK. Role of aromaticity and charge of a system in its hydrogen trapping potential and vice versa. Physical Chemistry Chemical Physics : Pccp. 13: 20602-14. PMID 21901203 DOI: 10.1039/C1Cp21752F  0.535
2011 Chakraborty A, Giri S, Duley S, Anoop A, Bultinck P, Chattaraj PK. Aromaticity in all-metal annular systems: the counter-ion effect. Physical Chemistry Chemical Physics : Pccp. 13: 14865-78. PMID 21792426 DOI: 10.1039/C1Cp21430F  0.559
2011 Chattaraj PK, Giri S, Duley S. Update 2 of: electrophilicity index. Chemical Reviews. 111: PR43-75. PMID 21306180 DOI: 10.1021/Cr100149P  0.434
2011 Giri S, Chakraborty A, Chattaraj PK. Potential use of some metal clusters as hydrogen storage materials--a conceptual DFT approach. Journal of Molecular Modeling. 17: 777-84. PMID 20556447 DOI: 10.1007/S00894-010-0761-1  0.562
2011 Gupta AK, Chakraborty A, Giri S, Subramanian V, Chattaraj P. Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds International Journal of Chemoinformatics and Chemical Engineering. 1: 61-74. DOI: 10.4018/ijcce.2011010105  0.435
2011 Duley S, Giri S, Sathyamurthy N, Islas R, Merino G, Chattaraj PK. Aromaticity and hydrogen storage capability of planar and rings Chemical Physics Letters. 506: 315-320. DOI: 10.1016/J.Cplett.2011.03.037  0.489
2011 Chakraborty A, Giri S, Chattaraj PK. Analyzing the efficiency of M n –(C2H4) (M = Sc, Ti, Fe, Ni; n = 1, 2) complexes as effective hydrogen storage materials Structural Chemistry. 22: 823-837. DOI: 10.1007/S11224-011-9754-7  0.564
2011 Bandaru S, Chakraborty A, Giri S, Chattaraj PK. Toward analyzing some neutral and cationic boron-lithium clusters (BxLiy x = 2-6; y = 1, 2) as effective hydrogen storage materials: A conceptual density functional study International Journal of Quantum Chemistry. 112: 695-702. DOI: 10.1002/Qua.23055  0.559
2011 Chakraborty A, Das R, Giri S, Chattaraj PK. Net reactivity index (Δω) Journal of Physical Organic Chemistry. 24: 854-864. DOI: 10.1002/Poc.1855  0.524
2010 Deb D, Giri S, Chattaraj PK, Bhattacharjee M. Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li(6) rings: experimental and computational studies. The Journal of Physical Chemistry. A. 114: 10871-7. PMID 20857995 DOI: 10.1021/Jp106028Y  0.472
2010 Giri S, Roy DR, Duley S, Chakraborty A, Parthasarathi R, Elango M, Vijayaraj R, Subramanian V, Islas R, Merino G, Chattaraj PK. Bonding, aromaticity, and structure of trigonal dianion metal clusters. Journal of Computational Chemistry. 31: 1815-21. PMID 19921693 DOI: 10.1002/Jcc.21452  0.723
2010 Sarkar U, Giri S, Chattaraj PK. Dirichlet boundary conditions and effect of confinement on chemical reactivity. The Journal of Physical Chemistry. A. 113: 10759-66. PMID 19746922 DOI: 10.1021/Jp902374D  0.529
2010 Pandith AH, Giri S, Chattaraj PK. A Comparative Study of Two Quantum Chemical Descriptors in Predicting Toxicity of Aliphatic Compounds towards Tetrahymena pyriformis Organic Chemistry International. 2010: 1-17. DOI: 10.1155/2010/545087  0.521
2010 Duley S, Chakraborty A, Giri S, Chattaraj PK. A conceptual density functional study of structure, bonding, reactivity and the possibility of bond-stretch isomerism in some neutral sulfur clusters, Sn(n=3–8) Journal of Sulfur Chemistry. 31: 231-246. DOI: 10.1080/17415993.2010.492475  0.551
2010 Chakraborty A, Giri S, Chattaraj PK. Trapping of noble gases (He–Kr) by the aromatic H3+ and Li3+ species: a conceptual DFT approach New Journal of Chemistry. 34: 1936. DOI: 10.1039/C0Nj00040J  0.533
2010 Das Adhikary S, Samanta T, Roymahapatra G, Loiseau F, Jouvenot D, Giri S, Chattaraj PK, Dinda J. 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: 1974. DOI: 10.1039/B9Nj00698B  0.52
2010 Chattaraj PK, Giri S, Duley S. Electrophilicity Equalization Principle The Journal of Physical Chemistry Letters. 1: 1064-1067. DOI: 10.1021/Jz1001117  0.525
2010 Giri S, Wang DZ, Chattaraj PK. Catalyst electronic polarizability and enantiomeric excess in asymmetric hydrogenation Tetrahedron. 66: 4560-4563. DOI: 10.1016/J.Tet.2010.04.055  0.496
2010 Jaccob M, Sheeba Jem I, Giri S, Venuvanalingam P, Chattaraj PK. Application of activation hardness in perturbed pericyclic reactions: a case study involving electrocyclic ring opening reactions of heterocyclobutenes Journal of Physical Organic Chemistry. 24: 460-465. DOI: 10.1002/Poc.1785  0.55
2009 Chattaraj PK, Chakraborty A, Giri S. Net electrophilicity. The Journal of Physical Chemistry. A. 113: 10068-74. PMID 19702288 DOI: 10.1021/jp904674x  0.457
2009 Roy DR, Giri S, Chattaraj PK. Arsenic toxicity: an atom counting and electrophilicity-based protocol. Molecular Diversity. 13: 551-6. PMID 19326252 DOI: 10.1007/S11030-009-9133-0  0.702
2009 Chattaraj PK, Giri S. Electrophilicity index within a conceptual DFT framework Annual Reports On the Progress of Chemistry - Section C. 105: 13-39. DOI: 10.1039/b802832j  0.445
2009 Chakraborty A, Giri S, Chattaraj P. Structure, bonding, reactivity and aromaticity of some selected Zn-clusters Journal of Molecular Structure: Theochem. 913: 70-79. DOI: 10.1016/J.Theochem.2009.07.019  0.538
2009 Duley S, Giri S, Chakraborty A, Chattaraj PK. Bonding, aromaticity and reactivity patterns in some all-metal and non-metal clusters Journal of Chemical Sciences. 121: 849-858. DOI: 10.1007/S12039-009-0100-1  0.548
2009 Chattaraj PK, Giri S. Multi-decker sandwich complexes using Be32−and Mg32−dianions International Journal of Quantum Chemistry. 109: 2373-2382. DOI: 10.1002/Qua.22124  0.544
2008 De Proft F, Chattaraj PK, Ayers PW, Torrent-Sucarrat M, Elango M, Subramanian V, Giri S, Geerlings P. Initial Hardness Response and Hardness Profiles in the Study of Woodward-Hoffmann Rules for Electrocyclizations. Journal of Chemical Theory and Computation. 4: 595-602. PMID 26620934 DOI: 10.1021/Ct700289P  0.534
2008 Gupta K, Giri S, Chattaraj PK. Acidity of meta- and para-substituted aromatic acids: a conceptual DFT study New Journal of Chemistry. 32: 1945. DOI: 10.1039/B803655A  0.54
2008 Chattaraj PK, Giri S. Variation in aromaticity and bonding patterns in a reaction cycle involving Be32 - and Mg32 - dianions Journal of Molecular Structure: Theochem. 865: 53-56. DOI: 10.1016/J.Theochem.2008.06.030  0.543
2008 Chattaraj PK, Sengupta S, Giri S. Quantum-classical correspondence of a field induced KAM-type transition: A QTM approach Journal of Chemical Sciences. 120: 33-37. DOI: 10.1007/S12039-008-0005-4  0.731
2008 Giri S, Roy D, Van Damme S, Bultinck P, Subramanian V, Chattaraj P. An Atom Counting QSPR Protocol Qsar & Combinatorial Science. 27: 398-398. DOI: 10.1002/Qsar.200890010  0.694
2007 Chattaraj PK, Giri S. Stability, reactivity, and aromaticity of compounds of a multivalent superatom. The Journal of Physical Chemistry. A. 111: 11116-21. PMID 17915847 DOI: 10.1021/Jp0760758  0.515
2007 Chattaraj PK, Roy DR, Giri S. Electronic structure principles in static and dynamic situations Computing Letters. 3: 223-230. DOI: 10.1163/157404007782913336  0.704
2007 Chattaraj PK, Giri S. Stability, reactivity, and aromaticity of compounds of a multivalent superatom Journal of Physical Chemistry A. 111: 11116-11121. DOI: 10.1021/jp0760758  0.47
2007 Chattaraj P, Arun Murthy T, Giri S, Roy D. A connection between softness and magnetizability Journal of Molecular Structure: Theochem. 813: 63-65. DOI: 10.1016/J.Theochem.2007.02.035  0.707
2007 Chattaraj PK, Roy DR, Giri S, Mukherjee S, Subramanian V, Parthasarathi R, Bultinck P, Van Damme S. An atom counting and electrophilicity based QSTR approach Journal of Chemical Sciences. 119: 475-488. DOI: 10.1007/S12039-007-0061-1  0.707
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