Прати
Soumen Ghosh
Soumen Ghosh
Assistant Professor of Chemistry @IIT Madras
Верификована је имејл адреса на iitm.ac.in - Почетна страница
Наслов
Навело
Навело
Година
NWChem: Past, present, and future
E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ...
The Journal of chemical physics 152 (18), 2020
6712020
Combining Wave Function Methods with Density Functional Theory for Excited States
S Ghosh, P Verma, CJ Cramer, L Gagliardi, DG Truhlar
Chemical Reviews 118 (15), 6925-7362, 2018
2262018
Multiconfiguration Pair-Density Functional Theory is as Acccurate as CASPT2 for Electronic Excitation
CE Hoyer, S Ghosh, DG Truhlar, L Gagliardi
Journal of Physical Chemistry Letters 7 (3), 586-591, 2016
1062016
Revised M11 Exchange–Correlation Functional for Electronic Excitation Energies and Ground–State Properties
P Verma, Y Wang, S Ghosh, X He, DG Truhlar
Journal of Physical Chemistry A, 2019
972019
Length Dependent Nanotransport and Charge Hopping Bottlenecks in Long Thiophene-Containing π-Conjugated Molecular Wires
C Smith, SO Odoh, S Ghosh, L Gagliardi, CJ Cramer, CD Frisbie
Journal of American Chemical Society 137 (50), 15732-15741, 2015
922015
Generalized-Active-Space Pair-Density Functional Theory: An Efficient Method to Study Large, Strongly Correlated, Conjugated Systems
S Ghosh, CJ Cramer, DG Truhlar, L Gagliardi
Chemical Science 8 (4), 2741-2750, 2017
812017
Charge Transport in 4 nm Molecular Wires with Interrupted Conjugation: Combined Experimental and Computational Evidence for Thermally Assisted Polaron Tunneling
D Taherinia, C Smith, S Ghosh, SO Odoh, L Balhorn, L Gagliardi, ...
ACS Nano 10 (4), 4372–4383, 2016
662016
Multiconfiguration Pair-Density Functional Theory Outperforms Kohn-Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State …
S Ghosh, AL Sonnenberger, CE Hoyer, DG Truhlar, L Gagliardi
Journal of Chemical Theory and Computation 11 (8), 3643–3649, 2015
612015
Origin of The Failure of Density Functional Theories in Predicting Inverted Singlet-Triplet Gaps
S Ghosh, K Bhattacharyya
Journal of Physical Chemistry A 126 (8), 1378-1385, 2022
442022
Partial Fluorination as a Strategy for Crystal Engineering of Rubrene Derivatives
WA Ogden, S Ghosh, MJ Bruzek, KA McGarry, L Balhorn, V Young, ...
Crystal Growth & Design 17 (2), 643–658, 2016
372016
Addressing the system-size dependence of the local approximation error in coupled-cluster calculations
A Altun, S Ghosh, C Riplinger, F Neese, G Bistoni
The Journal of Physical Chemistry A 125 (45), 9932-9939, 2021
262021
Modeling Optical Spectra of Large Organic Systems using Real-Time Propagation of Semiempirical Effective Hamiltonians
S Ghosh, A Andersen, L Gagliardi, CJ Cramer, N Govind
Journal of Chemical Theory and Computation 13 (9), 4410-4420, 2017
242017
Enhancing the double exchange interaction in a mixed valence {VIII–VII} pair: a theoretical perspective
S Ghosh, SK Singh, G Rajaraman
Dalton Transactions 42 (47), 16490-1493, 2013
202013
Synthesis and characterization of electron-deficient asymmetrically substituted diarylindenotetracenes
LJ Purvis, X Gu, S Ghosh, Z Zhang, CJ Cramer, CJ Douglas
The Journal of organic chemistry 83 (4), 1828-1841, 2018
152018
Near-Quantitative Predictions of the First-Shell Coordination Structure of Hydrated First-Row Transition Metal Ions Using K-Edge X-ray Absorption Near-Edge Spectroscopy
S Ghosh, H Agarwal, M Galib, B Tran, M Balasubramanian, N Singh, ...
The Journal of Physical Chemistry Letters 13, 6323–6330, 2022
142022
Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled …
S Ghosh, F Neese, R Izsák, G Bistoni
Journal of Chemical Theory and Computation 17 (6), 3348-3359, 2021
142021
A semiempirical effective Hamiltonian based approach for analyzing excited state wave functions and computing excited state absorption spectra using real-time dynamics
S Ghosh, JC Asher, L Gagliardi, CJ Cramer, N Govind
Journal of Chemical Physics 150 (10), 104103, 2019
122019
A new density for transition properties within the similarity transformed equation of motion approach
S Ghosh, AK Dutta, B Suza, R Berraud-Pache, R Izsák
Molecular Physics, 2020
52020
A combined wave function and density functional approach for K-edge X-ray absorption near-edge spectroscopy: A case study of hydrated first-row transition metal ions
S Ghosh, S Mukamel, N Govind
The Journal of Physical Chemistry Letters 14 (22), 5203-5209, 2023
42023
Visible‐Light Induced Ag‐Palladacycle‐Complex‐Mediated Regioselective C‐H Arylation
R Bhawale, A Chillal, S Ghosh, umesh kshirsagar
Advanced Synthesis & Catalysis, 2024
12024
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