2012

46. “Insights into the Mechanism of a S_N2 Reaction from the Reaction Force and the Reaction Electronic Flux”

S. Giri, E. Echegaray, P. W. Ayers, A. Nuñez, F. Lund and A. Toro-Labbé

J. Phys. Chem. A 2012, 116, 10015 :: Citation: 07

45. “Charge-based DFT descriptors for Diels-Alder reactions”

K. Gupta, S. Giri and P. K. Chattaraj

J. Phys. org. Chem. 2012, DOI: 10.1002/poc.2987 :: Citation: 01

44. “Comment on Ruling Out Any Electrophilicity Equalization Principle”

P. K. Chattaraj, S. Giri, and S. Duley

J. Phys. Chem. A, 2012, 116, 790 :: Citation: 11

43. “A Computational Study on the Hydrogen Adsorption Capacity of Various Lithium doped Boron Hydrides”

S. Pan, S. Giri, and P. K. Chattaraj

J. Comp. Chem. 2012, 33, 425 :: Citation: 17

42. “ Pd(II)–N-heterocyclic carbene complexes of 2,6-bis {N-methyl imidazolium/benzimidazolium)} pyrazinechloride: Synthesis, structure, catalysis and theoretical studies”

G. Roymahapatra, S. Giri, A. A. Danopoulos, P. K. Chattaraj, A. Mahapatra, V. Bertolasi, J. Dinda

Inorganica Chimica Acta 2012, 383, 83 :: Citation: 10

41. “Towards Analyzing Some Neutral and Cationic Boron - Lithium Clusters (B_xLi_y, x = 2 - 6; y = 1, 2) as Effective Hydrogen Storage Materials: A Conceptual Density Functional Study”

S. Bandaru, A. Chakraborty, S. Giri and P. K. Chattaraj

Int. J. Quantum Chem. 2012, 112, 695 :: Citation: 08

40. “Pyrazine functionalized Ag(I) and Au(I)-NHC complexes are potential antibacterial agents”

G. Roymahapatra, S. M. Mandal, W. F. Porto, T. Samanta, S. Giri, J. Dinda, O. L. Franco and P. K. Chattaraj

Current Medicinal Chemistry 2012, 19, 4184 :: Citation: 14

39. “Some novel molecular frameworks involving representative elements”

A. Chakraborty, S. Bandaru, R. Das, S. Duley, S. Giri, K. Goswami, S. Mondal, S. Pan, S. Sen and P. K. Chattaraj

Phys. Chem. Chem. Phys. 2012, DOI: 10.1039/C2CP41424D :: Citation: 02

38. “Theoretical investigation of hydrogen adsorption in all-metal aromatic clusters”

K. Srinivasu, S. K. Ghosh, R. Das, S. Giri and P. K. Chattaraj

RSC Adv. 2012, 2, 2914 :: Citation: 16