| 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 | 3018 | 2015 |
| Advances in methods and algorithms in a modern quantum chemistry program package Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Physical Chemistry Chemical Physics 8 (27), 3172-3191, 2006 | 2907 | 2006 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 638 | 2021 |
| Determining and extending the domain of exchange and correlation functionals EI Proynov, E Ruiz, A Vela, DR Salahub International Journal of Quantum Chemistry 56 (S29), 61-78, 1995 | 155 | 1995 |
| Extension of the LAP functional to include parallel spin correlation EI Proynov, S Sirois, DR Salahub International journal of quantum chemistry 64 (4), 427-446, 1997 | 110 | 1997 |
| Hydrogen-bonding in glycine and malonaldehyde: Performance of the Lap1 correlation functional S Sirois, EI Proynov, DT Nguyen, DR Salahub The Journal of chemical physics 107 (17), 6770-6781, 1997 | 108 | 1997 |
| Nonlocal correlation functional involving the Laplacian of the density EI Proynov, A Vela, DR Salahub Chemical physics letters 230 (4-5), 419-428, 1994 | 106 | 1994 |
| New τ-dependent correlation functional combined with a modified Becke exchange E Proynov, H Chermette, DR Salahub The Journal of Chemical Physics 113 (22), 10013-10027, 2000 | 96 | 2000 |
| StoBe-DeMon, version 3.0 K Hermann, LGM Pettersson, ME Casida, C Daul, A Goursot, A Koester, ... STOBE software, 2002 | 87 | 2002 |
| Advances in methods and algorithms in a modern quantum chemistry program package JM Herbert, C Yeh Lin, T Van Voorhis, S Hung Chien, A Sodt, RP Steele, ... Phys. Chem. Chem. Phys 8, 3172, 2006 | 82 | 2006 |
| Density functional model for nondynamic and strong correlation J Kong, E Proynov Journal of Chemical Theory and Computation 12 (1), 133-143, 2016 | 74 | 2016 |
| Efficient computation of the dispersion interaction with density-functional theory J Kong, Z Gan, E Proynov, M Freindorf, TR Furlani Physical Review A 79 (4), 042510, 2009 | 73 | 2009 |
| Simple but efficient correlation functional from a model pair-correlation function EI Proynov, DR Salahub Physical Review B 49 (12), 7874, 1994 | 63 | 1994 |
| Density functional study of the NO dimer using GGA and LAP functionals HA Duarte, E Proynov, DR Salahub The Journal of chemical physics 109 (1), 26-35, 1998 | 58 | 1998 |
| Solvation of the hydroxide anion: A combined DFT and molecular dynamics study Wei, EI Proynov, A Milet, DR Salahub The Journal of Physical Chemistry A 104 (11), 2384-2395, 2000 | 55 | 2000 |
| Q-Chem, version 3.0. Q-chem Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Inc.: Pittsburgh, PA, 2007 | 49 | 2007 |
| Comparison of the performance of exact-exchange-based density functional methods F Liu, E Proynov, JG Yu, TR Furlani, J Kong The Journal of Chemical Physics 137 (11), 2012 | 48 | 2012 |
| 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 Rhee Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Chem. Commun 54, 6883-6886, 2018 | 42 | 2018 |
| Improved self-consistent and resolution-of-identity approximated Becke'05 density functional model of nondynamic electron correlation E Proynov, F Liu, Y Shao, J Kong The Journal of Chemical Physics 136 (3), 2012 | 41 | 2012 |
| Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method E Proynov, Y Shao, J Kong Chemical physics letters 493 (4-6), 381-385, 2010 | 41 | 2010 |
