Soumen Saha
Soumen Saha
Post Doctoral Fellow, Nagoya University, Nagoya, Japan
Verified email at ncube.human.nagoya-u.ac.jp - Homepage
TitleCited byYear
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
752009
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
712010
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
542012
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
482012
Cooperative or anticooperative: how noncovalent interactions influence each other
S Saha, GN Sastry
The Journal of Physical Chemistry B 119 (34), 11121-11135, 2015
392015
“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
362007
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
352013
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
352009
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
302010
N-Dependence problem of local hardness parameter
S Saha, RK Roy
Physical Chemistry Chemical Physics 10 (36), 5591-5598, 2008
302008
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
242011
“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
182008
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
152016
Hardness potential derivatives and their relation to fukui indices
S Saha, R Bhattacharjee, RK Roy
Journal of computational chemistry 34 (8), 662–672, 2013
152013
Quantifying cooperativity in water clusters: an attempt towards obtaining a generalised equation
S Saha, GN Sastry
Molecular Physics 113 (19-20), 3031-3041, 2015
52015
On the origin of spurious errors in many-body expansion for water cluster
S Saha, MR Vivek, GN Sastry
Journal of Chemical Sciences 129 (7), 1053–1060, 2017
22017
Probing the Most Stable Isomer of Zirconium Bis (phenoxy-imine) Cation: A Computational Investigation
S Saha, M Takayanagi, K Matsumoto, SK Sankaran, Y Tanaka, N Koga, ...
The Journal of Physical Chemistry A 122 (8), 2198–2208, 2018
12018
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
2019
Differential Cationization of Fatty Acids with Monovalent Cations Studied by ESI‐MS/MS and Computational Approach
BS Reddy, P Pavankumar, L Sridhar, S Saha, GN Sastry, S Prabhakar
Rapid Communications in Mass Spectrometry, 2018
2018
Modeling Chemical and Biological (Re) activity
R Sharma, S Saha, P Badrinarayan, GN Sastry
Current Research & Information on Pharmaceutical Sciences (CRIPS) 15 (1), 9-15, 2014
2014
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