 | 2012 |
| 7 |  | Wei Wu,
Yirong Mo:
Reply to comment on the paper "An efficient Algorithm for Energy Gradients and Orbital Optimization in Valence Bond Theory".
Journal of Computational Chemistry 33(8): 914-915 (2012) |
| 2009 |
| 6 |  | Xin Zhang,
Ruibo Wu,
Lingchun Song,
Yuchun Lin,
Menghai Lin,
Zexing Cao,
Wei Wu,
Yirong Mo:
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase.
Journal of Computational Chemistry 30(15): 2388-2401 (2009) |
| 5 |  | Lingchun Song,
Jinshuai Song,
Yirong Mo,
Wei Wu:
An efficient algorithm for energy gradients and orbital optimization in valence bond theory.
Journal of Computational Chemistry 30(3): 399-406 (2009) |
| 2007 |
| 4 |  | John Frederick Beck,
Yirong Mo:
How resonance assists hydrogen bonding interactions: An energy decomposition analysis.
Journal of Computational Chemistry 28(1): 455-466 (2007) |
| 2005 |
| 3 |  | Lingchun Song,
Yirong Mo,
Qianer Zhang,
Wei Wu:
XMVB: A program for ab initio nonorthogonal valence bond computations.
Journal of Computational Chemistry 26(5): 514-521 (2005) |
| 2000 |
| 2 |  | Yirong Mo,
Jiali Gao:
Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water.
Journal of Computational Chemistry 21(16): 1458-1469 (2000) |
| 1999 |
| 1 |  | Taijin Zhou,
Yirong Mo:
General method for symmetry orbitals and tensors in electronic structure calculations.
Journal of Computational Chemistry 20(3): 305-321 (1999) |