| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3239 | 2015 |
| Orbital optimization in the density matrix renormalization group, with applications to polyenes and β-carotene D Ghosh, J Hachmann, T Yanai, GK Chan The Journal of chemical physics 128 (14), 144117-144117-14, 2008 | 396 | 2008 |
| First-principle protocol for calculating ionization energies and redox potentials of solvated molecules and ions: Theory and application to aqueous phenol and phenolate D Ghosh, A Roy, R Seidel, B Winter, S Bradforth, AI Krylov The Journal of Physical Chemistry B 116 (24), 7269-7280, 2012 | 145 | 2012 |
| Noncovalent interactions in extended systems described by the effective fragment potential method: Theory and application to nucleobase oligomers D Ghosh, D Kosenkov, V Vanovschi, CF Williams, JM Herbert, MS Gordon, ... The Journal of Physical Chemistry A 114 (48), 12739-12754, 2010 | 138 | 2010 |
| Effect of solvation on the vertical ionization energy of thymine: from microhydration to bulk D Ghosh, O Isayev, LV Slipchenko, AI Krylov The Journal of Physical Chemistry A 115 (23), 6028-6038, 2011 | 127 | 2011 |
| This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... B. Austin, GJO Beran, YA Bernard, E. Berquist, K. Brandhorst, KB Bravaya, ST …, 2015 | 109* | 2015 |
| Accelerating convergence in iterative solution for large‐scale complete active space self‐consistent‐field calculations T Yanai, Y Kurashige, D Ghosh, GK Chan International Journal of Quantum Chemistry 109 (10), 2178-2190, 2009 | 103 | 2009 |
| A study of cumulant approximations to n-electron valence multireference perturbation theory D Zgid, D Ghosh, E Neuscamman, GK Chan The Journal of chemical physics 130 (19), 2009 | 101 | 2009 |
| An introduction to the density matrix renormalization group ansatz in quantum chemistry GKL Chan, JJ Dorando, D Ghosh, J Hachmann, E Neuscamman, H Wang, ... Frontiers in Quantum Systems in Chemistry and Physics, 49-65, 2008 | 101 | 2008 |
| Extension of the effective fragment potential method to macromolecules PK Gurunathan, A Acharya, D Ghosh, D Kosenkov, I Kaliman, Y Shao, ... The Journal of Physical Chemistry B 120 (27), 6562-6574, 2016 | 97 | 2016 |
| Singlet–triplet gaps in polyacenes: a delicate balance between dynamic and static correlations investigated by spin–flip methods CU Ibeji, D Ghosh Physical Chemistry Chemical Physics 17 (15), 9849-9856, 2015 | 76 | 2015 |
| Frontiers in Quantum Systems in Chemistry and Physics GKL Chan, JJ Dorando, D Ghosh, J Hachmann, E Neuscamman, H Wang, ... Springer, New York, 2009 | 73* | 2009 |
| A VUV photoionization and ab initio determination of the ionization energy of a gas-phase sugar (deoxyribose) D Ghosh, A Golan, LK Takahashi, AI Krylov, M Ahmed The journal of physical chemistry letters 3 (1), 97-101, 2012 | 59 | 2012 |
| Effective fragment potential method in Q‐CHEM: A guide for users and developers D Ghosh, D Kosenkov, V Vanovschi, J Flick, I Kaliman, Y Shao, ... Journal of computational chemistry 34 (12), 1060-1070, 2013 | 58 | 2013 |
| The nature of selenium hydrogen bonding: gas phase spectroscopy and quantum chemistry calculations KK Mishra, SK Singh, P Ghosh, D Ghosh, A Das Physical Chemistry Chemical Physics, 2017 | 57 | 2017 |
| 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 … Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Chem. Soc. Rev 44, 291-304, 2015 | 50* | 2015 |
| Hybrid equation-of-motion coupled-cluster/effective fragment potential method: A route toward understanding photoprocesses in the condensed phase D Ghosh The Journal of Physical Chemistry A 121 (4), 741-752, 2017 | 36 | 2017 |
| Perturbative approximations to single and double spin flip equation of motion coupled cluster singles doubles methods AK Dutta, S Pal, D Ghosh The Journal of Chemical Physics 139 (12), 2013 | 34 | 2013 |
| Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes A Dey, SI Mondal, S Sen, D Ghosh, GN Patwari Physical Chemistry Chemical Physics 16 (46), 25247-25250, 2014 | 33 | 2014 |
| Effect of solvation on electron detachment and excitation energies of a green fluorescent protein chromophore variant S Bose, S Chakrabarty, D Ghosh The Journal of Physical Chemistry B 120 (19), 4410-4420, 2016 | 31 | 2016 |
Anna KrylovProfessor of Chemistry, University of Southern CaliforniaVerified email at usc.edu