Follow
Soumen Saha
Soumen Saha
Assistant Professor, Department of Chemistry, Triveni Devi Bhalotia College, Raniganj, Paschim
Verified email at tdbcollege.ac.in - Homepage
Title
Cited by
Cited by
Year
Are the Hirshfeld and Mulliken population analysis schemes consistent with chemical intuition?
S Saha, RK Roy, PW Ayers
International Journal of Quantum Chemistry 109 (9), 1790–1806, 2009
1342009
Studies of regioselectivity of large molecular systems using DFT based reactivity descriptors
RK Roy, S Saha
Annual Reports Section" C"(Physical Chemistry) 106, 118–162, 2010
1072010
Cooperative or anticooperative: how noncovalent interactions influence each other
S Saha, GN Sastry
The Journal of Physical Chemistry B 119 (34), 11121–11135, 2015
732015
A comprehensive decomposition analysis of stabilization energy (CDASE) and its application in locating the rate-determining step of multi-step reactions
P Bagaria, S Saha, S Murru, V Kavala, BK Patel, RK Roy
Physical Chemistry Chemical Physics 11 (37), 8306–8315, 2009
702009
Surface reactivity for chlorination on chlorinated (5, 5) armchair SWCNT: a computational approach
S Saha, TC Dinadayalane, JS Murray, D Leszczynska, J Leszczynski
The Journal of Physical Chemistry C 116 (42), 22399–22410, 2012
652012
CDASE—a reliable scheme to explain the reactivity sequence between Diels–Alder pairs
S Saha, RK Roy, S Pal
Physical Chemistry Chemical Physics 12 (32), 9328–9338, 2010
612010
Open and capped (5, 5) armchair SWCNTs: a comparative study of DFT-based reactivity descriptors
S Saha, TC Dinadayalane, D Leszczynska, J Leszczynski
Chemical Physics Letters 541, 85–91, 2012
512012
On the complementarity of comprehensive decomposition analysis of stabilization energy (CDASE)–Scheme and supermolecular approach
A Sarmah, S Saha, RK Roy
Chemical Physics 394 (1), 29–35, 2011
492011
“One-into-many” model: an approach on DFT based reactivity descriptor to predict the regioselectivity of large systems
S Saha, RK Roy
The Journal of Physical Chemistry B 111 (32), 9664–9674, 2007
452007
DFT-based reactivity study of (5, 5) armchair boron nitride nanotube (BNNT)
S Saha, TC Dinadayalane, D Leszczynska, J Leszczynski
Chemical Physics Letters 565, 69-73, 2013
422013
Palladium-Catalyzed Tandem-Cyclization of Functionalized Ynamides: An Approach to Benzosultams
AS Reddy, ALS Kumari, S Saha, KC Kumara Swamya
Advanced Synthesis & Catalysis 358, 1625–1638, 2016
372016
N-Dependence problem of local hardness parameter
S Saha, RK Roy
Physical Chemistry Chemical Physics 10 (36), 5591–5598, 2008
322008
Towards Developing a Criterion to Characterize Non-covalent Bonds: A Quantum Mechanical Study
N Kumar, S Saha, GN Sastry
Phys. Chem. Chem. Phys. 23, 8478-8488, 2021
302021
Hardness potential derivatives and their relation to fukui indices
S Saha, R Bhattacharjee, RK Roy
Journal of computational chemistry 34 (8), 662–672, 2013
222013
“One-into-Many” Model: An Approach on DFT Based Reactivity Descriptor to Predict the Regioselectivity of Large Systems
S Saha, RK Roy
The Journal of Physical Chemistry B 112 (6), 1884–1884, 2008
192008
Microscopic Origin of the Solid Electrolyte Interphase Formation in Fire-Extinguishing Electrolyte: Formation of Pure Inorganic Layer in High Salt Concentration
A Bouibes, N Takenaka, S Saha, M Nagaoka
The Journal of Physical Chemistry Letters 10, 5949–5955, 2019
162019
Quantifying cooperativity in water clusters: an attempt towards obtaining a generalised equation
S Saha, GN Sastry
Molecular Physics 113 (19-20), 3031–3041, 2015
162015
Theoretical Elucidation of the Effect of Counteranions on the Olefin Polymerization Activity of (Pyridylamido)Hf(IV) Catalyst by QM and REMD Studies: MeB(C6F5)3– versus B(C6F5)4–
N Misawa, Y Suzuki, S Saha, N Koga, M Nagaoka
Organometallics 40 (1), 48-62, 2021
122021
Theoretically predicting the feasibility of highly-fluorinated ethers as promising diluents for non-flammable concentrated electrolytes
A Bouibes, S Saha, M Nagaoka
Scientific Reports 10, 21966, 2020
92020
Atomistic Simulation of the Polymerization Reaction by a (Pyridylamido)hafnium(IV) Catalyst: Counteranion Influence on the Reaction Rate and the Living Character of the …
N Misawa, Y Suzuki, K Matsumoto, S Saha, N Koga, M Nagaoka
J. Phys. Chem. B 125, 1453–1467, 2021
62021
The system can't perform the operation now. Try again later.
Articles 1–20