150. Chen, X.; Chen, Z.; Wu, W., 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, J. Chem. Phys., 2014, 141, 194113.
149. Chen, Z.; Chen, X.; Wu, W., Nonorthogonal Orbital Based N-body Reduced Density Matrices and Their Applications to Valence Bond Theory. III. Second-Order Perturbation Theory Using Valence Bond Self-Consistent Field Function as Reference, J. Chem. Phys., 2014, 141, 134118.
148. Chang, X.; Su, P.; Wu, W., Internal Rotation Barrier of the XH3-YH3 (X, Y = C or Si) Molecules. An Energy Decomposition Analysis Study, Chem. Phys. Lett., 2014, 610, 246-250.
147. Huang, J.; Ying, F.; Wu, W.; Su, P., VBEFP/PCM: A QM/MM/PCM Approach for Valence Bond method and its application for the vertical excitations of formaldehyde and acetone in the aqueous solution, Sci. China Chem, 2014, 57, 1409-1417.
146. Wu, J. I.-C.; Wang, C.; McKee, W. C.; Schleyer, P. von R.; Wu, W.; Mo, Y., On the larger σ-hyperconjugation in alkanes and alkenes, J. Mol. Model, 2014, 20, 2228.
145. Zhang, H.; Danovich, D.; Wu, W.; Braida, B.; Hiberty, P. C.; Shaik, S., Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories, J. Chem. Theor. Comput. 2014, 10, 2410-2418.
144. Danovich, D.; Hiberty, P. C.; Wu, W.; Rzepa, H.; Shaik, S.; The Nature of the 4th Bond in the Ground State of C2: The Quadruple Bond Conundrum, Chem. Euro. J. 2014, 20, 6220-6232.
143. Mo, Y.; Wang, C.; Guan, L.; Braida, B.; Hiberty, P. C.; Wu, W., On the Nature of Blue-Shifting Hydrogen Bonds, Chem. Euro. J., 2014, 20, 8444-8452.
142. Shaik, S.; Danovich, D.; Wu, W.; Hiberty, P. C., Valence Bond Perspective of the Chemical Bond, Book Chapter, in press.
141. Wu, W.; Zhang, H.; Braid, B.; Shaik, S., The V State of Ethylene: Valence Bond Takes up the Challenge, Theor. Chem. Acc., 2014, 133, 1441.
140. Su, P.; Jiang, Z.; Wu, W., Energy Decomposition Scheme Based on the Generlizaed Kohn-Sham Scheme, J. Phys. Chem. A, 2014, 118, 2531-2542.
139. Wang, C.; Ying, F.; Wu, W.; Mo, Y., How Solvent Influences the Anomeric Effect: Roles of Hyperconjugative versus Steric Interactions on the Conformational Preference, J. Org. Chem. 2014, 79, 1571-1581.