| Xiamen Valence Bond L Song, Z Chen, F Ying, J Song, X Chen, P Su, Y Mo, Q Zhang, W Wu | 233* | |
| XMVB 2.0: A new version of Xiamen valence bond program Z Chen, F Ying, X Chen, J Song, P Su, L Song, Y Mo, Q Zhang, W Wu International Journal of Quantum Chemistry 115 (11), 731-737, 2015 | 73 | 2015 |
| An Excursion from Normal to Inverted C C Bonds Shows a Clear Demarcation between Covalent and Charge‐Shift C C Bonds S Shaik, Z Chen, W Wu, A Stanger, D Danovich, PC Hiberty ChemPhysChem 10 (15), 2658-2669, 2009 | 54 | 2009 |
| How the Generalized Anomeric Effect Influences the Conformational Preference C Wang, Z Chen, W Wu, Y Mo Chemistry-A European Journal 19 (4), 1436-1444, 2013 | 51 | 2013 |
| Valence Bond Perturbation Theory. A Valence Bond Method That Incorporates Perturbation Theory† Z Chen, J Song, S Shaik, PC Hiberty, W Wu The Journal of Physical Chemistry A 113 (43), 11560-11569, 2009 | 50 | 2009 |
| Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. II. An efficient algorithm for matrix elements and analytical energy … Z Chen, X Chen, W Wu The Journal of chemical physics 138 (16), 164120, 2013 | 47 | 2013 |
| Orbitally invariant internally contracted multireference unitary coupled cluster theory and its perturbative approximation: Theory and test calculations of second order … Z Chen, MR Hoffmann The Journal of chemical physics 137 (1), 014108, 2012 | 46 | 2012 |
| DFVB: A density-functional-based valence bond method F Ying, P Su, Z Chen, S Shaik, W Wu Journal of Chemical Theory and Computation 8 (5), 1608-1615, 2012 | 42 | 2012 |
| Nonorthogonal orbital based n-body reduced density matrices and their applications to valence bond theory. III. Second-order perturbation theory using valence bond self … Z Chen, X Chen, F Ying, J Gu, H Zhang, W Wu The Journal of Chemical Physics 141 (13), 134118, 2014 | 36 | 2014 |
| Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. I. Hamiltonian matrix elements between internally contracted excited … Z Chen, X Chen, W Wu The Journal of chemical physics 138 (16), 164119, 2013 | 35 | 2013 |
| Ab initio valence bond theory: A brief history, recent developments, and near future Z Chen, W Wu The Journal of Chemical Physics 153 (9), 090902, 2020 | 29 | 2020 |
| Elucidation of the Forces Governing the Stereochemistry of Biphenyl J Jia, HS Wu, Z Chen, Y Mo European Journal of Organic Chemistry 2013 (3), 611-616, 2013 | 23 | 2013 |
| Electron Transfer in Electrophilic Aromatic Nitration and Nitrosation: Computational Evidence for the Marcus Inverted Region Z Chen, Y Mo Journal of Chemical Theory and Computation 9 (10), 4428-4435, 2013 | 22 | 2013 |
| Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory. IV. The automatic implementation of the Hessian based VBSCF method X Chen, Z Chen, W Wu The Journal of chemical physics 141 (19), 194113, 2014 | 21 | 2014 |
| Seniority Number in Valence Bond Theory Z Chen, C Zhou, W Wu Journal of Chemical Theory and Computation 11 (9), 4102-4108, 2015 | 20 | 2015 |
| Explicit construction of diabatic state and its application to the direct evaluation of electronic coupling X Lin, X Liu, F Ying, Z Chen, W Wu The Journal of Chemical Physics 149 (4), 044112, 2018 | 12 | 2018 |
| An efficient algorithm for complete active space valence bond self‐consistent field calculation J Song, Z Chen, S Shaik, W Wu Journal of computational chemistry 34 (1), 38-48, 2013 | 12 | 2013 |
| Valence Bond Alternative Yielding Compact and Accurate Wave Functions for Challenging Excited States. Application to Ozone and Sulfur Dioxide B Braïda, Z Chen, W Wu, PC Hiberty Journal of Chemical Theory and Computation 17 (1), 330-343, 2021 | 10 | 2021 |
| The application of cholesky decomposition in valence bond calculation X Gong, Z Chen, W Wu Journal of Computational Chemistry 37 (23), 2157-2162, 2016 | 9 | 2016 |
| Direct Evaluation of the Hyperconjugative Interactions in 1,1,1-Trihaloethane (CH3CX3, X = F, Cl, and Br) Z Chen, C Corminboeuf, Y Mo The Journal of Physical Chemistry A 118 (31), 5743-5747, 2014 | 8 | 2014 |
Yirong MoUniversity of North Carolina at GreensboroVerified email at uncg.edu
