| 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 | 569 | 2020 |
| 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 | 216 | 2018 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 215 | 2020 |
| 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 | 96 | 2016 |
| 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 | 89 | 2019 |
| 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 | 88 | 2015 |
| 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 | 77 | 2017 |
| 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 | 63 | 2016 |
| 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 | 57 | 2015 |
| 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 | 35 | 2016 |
| 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 | 34 | 2022 |
| 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 | 23 | 2017 |
| 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 | 22 | 2021 |
| 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 | 20 | 2013 |
| 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 | 14 | 2018 |
| 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 | 12 | 2019 |
| 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 | 11 | 2022 |
| 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 | 9 | 2021 |
| 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 | 4 | 2020 |
| 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 | 3 | 2023 |
Christopher J. CramerUL Research Institutes在 ul.org 的电子邮件经过验证
