| Gaussian-3 (G3) theory for molecules containing first and second-row atoms LA Curtiss, K Raghavachari, PC Redfern, V Rassolov, JA Pople The Journal of chemical physics 109 (18), 7764-7776, 1998 | 3412 | 1998 |
| 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 | 3233 | 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 | 3020 | 2006 |
| 6‐31G* basis set for third‐row atoms VA Rassolov, MA Ratner, JA Pople, PC Redfern, LA Curtiss Journal of Computational Chemistry 22 (9), 976-984, 2001 | 2573 | 2001 |
| 6-31G* basis set for atoms K through Zn VA Rassolov, JA Pople, MA Ratner, TL Windus The Journal of chemical physics 109 (4), 1223-1229, 1998 | 2398 | 1998 |
| Gaussian-3 theory using reduced Mo/ller-Plesset order LA Curtiss, PC Redfern, K Raghavachari, V Rassolov, JA Pople The Journal of chemical physics 110 (10), 4703-4709, 1999 | 1436 | 1999 |
| 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 | 917 | 2021 |
| Q‐Chem 2.0: a high‐performance ab initio electronic structure program package J Kong, CA White, AI Krylov, D Sherrill, RD Adamson, TR Furlani, MS Lee, ... Journal of Computational Chemistry 21 (16), 1532-1548, 2000 | 688 | 2000 |
| Extension of Gaussian-3 theory to molecules containing third-row atoms K, Ca, Ga–Kr LA Curtiss, PC Redfern, V Rassolov, G Kedziora, JA Pople The Journal of Chemical Physics 114 (21), 9287-9295, 2001 | 199 | 2001 |
| Supramolecular structural variations with changes in anion and solvent in silver (I) complexes of a semirigid, bitopic tris (pyrazolyl) methane ligand DL Reger, RF Semeniuc, V Rassolov, MD Smith Inorganic chemistry 43 (2), 537-554, 2004 | 148 | 2004 |
| A geminal model chemistry VA Rassolov The Journal of chemical physics 117 (13), 5978-5987, 2002 | 142 | 2002 |
| Highly organized structures and unusual magnetic properties of paddlewheel copper (II) carboxylate dimers containing the π− π stacking, 1, 8-naphthalimide synthon DL Reger, A Debreczeni, B Reinecke, V Rassolov, MD Smith, ... Inorganic chemistry 48 (18), 8911-8924, 2009 | 111* | 2009 |
| Energy conserving approximations to the quantum potential: Dynamics with linearized quantum force S Garashchuk, VA Rassolov The Journal of chemical physics 120 (3), 1181-1190, 2004 | 91 | 2004 |
| Phys. Chem. Chem. Phys. Y Shao, LF Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Phys. Chem. Chem. Phys 8, 3172, 2006 | 90 | 2006 |
| Absorption spectrum, mass spectrometric properties, and electronic structure of 1, 2-benzoquinone G Albarran, W Boggess, V Rassolov, RH Schuler The Journal of Physical Chemistry A 114 (28), 7470-7478, 2010 | 86 | 2010 |
| Semiclassical dynamics based on quantum trajectories S Garashchuk, VA Rassolov Chemical physics letters 364 (5-6), 562-567, 2002 | 85 | 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 | 83 | 2006 |
| Geminal model chemistry II. Perturbative corrections VA Rassolov, F Xu, S Garashchuk The Journal of chemical physics 120 (22), 10385-10394, 2004 | 82 | 2004 |
| Quantum dynamics with Bohmian trajectories: energy conserving approximation to the quantum potential S Garashchuk, VA Rassolov Chemical physics letters 376 (3-4), 358-363, 2003 | 70 | 2003 |
| Geminal model chemistry. IV. Variational and size consistent pure spin states VA Rassolov, F Xu The Journal of chemical physics 127 (4), 2007 | 69 | 2007 |
Sophya Garashchukایمیل تأیید شده در chem.sc.edu
