1481.
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 2008,
30(3),
399-406.
1482.
Zhenhua Chen; Jinshuai Song; Lingchun Song; Wei Wu, A VALENCE BOND APPROACH BASED ON LEWIS STRUCTURES.
Journal of Theoretical and Computational Chemistry 2008,
07(04),
655-668.
1483.
Junjing Gu; Yong-Hui Lin; Ben Ma; Wei Wu; Sason Shaik, Covalent Excited States of Polyenes C2nH2n+2 (n = 2−8) and Polyenyl Radicals C2n-1H2n+1 (n = 2−8): An Ab Initio Valence Bond Study.
Journal of Chemical Theory and Computation 2008,
4(12),
2101-2107.
1484.
Sason Shaik*, Is my chemical universe localized or delocalized? is there a future for chemical concepts?.
New Journal of Chemistry 2007,
31(12),
2015-2015.
1485.
Mathieu Linares; Benoı̂t Braı̈da; Stéphane Humbel, Valence Bond Approach of Metal−Ligand Bonding in the Dewar−Chatt−Duncanson Model.
Inorganic Chemistry 2007,
46(26),
11390-11396.
1486.
Yirong Mo; Lingchun Song; Yu‐Chun Lin, Block-Localized Wavefunction (BLW) Method at the Density Functional Theory (DFT) Level.
The Journal of Physical Chemistry A 2007,
111(34),
8291-8301.
1487.
Yirong Mo*, Two-state model based on the block-localized wave function method.
The Journal of Chemical Physics 2007,
126(22).
1488.
Peifeng Su; Fuming Ying; Wei Wu; Philippe C. Hiberty; Sason Shaik, The Menshutkin Reaction in the Gas Phase and in Aqueous Solution: A Valence Bond Study.
ChemPhysChem 2007,
8(18),
2603-2614.
1489.
Philippe C. Hiberty; Romain Ramozzi; Lingchun Song; Wei Wu; Sason Shaik, The physical origin of large covalent–ionic resonance energies in some two-electron bonds.
Faraday Discussions 2006.
261-272.
1490.
Philippe C. Hiberty*; Sason Shaik, A survey of recent developments in ab initio valence bond theory.
Journal of Computational Chemistry 2006,
28(1),
137-151.
1491.
Lingchun Song; Wei Wu; Philippe C. Hiberty; Sason Shaik, Identity SN2 Reactions X−+CH3X→XCH3+X− (X=F, Cl, Br, and I) in Vacuum and in Aqueous Solution: A Valence Bond Study.
Chemistry - A European Journal 2006,
12(28),
7458-7466.
1492.
Avital Shurki*, Valence Bond – Rebirth of the Phoenix or Relic from the Stone Age.
Theoretical Chemistry Accounts 2006,
116(1-3),
253-261.
1493.
Donald G. Truhlar*, Valence bond theory for chemical dynamics.
Journal of Computational Chemistry 2006,
28(1),
73-86.
1494.
Yirong Mo; Paul von Ragué Schleyer, An Energetic Measure of Aromaticity and Antiaromaticity Based on the Pauling–Wheland Resonance Energies.
Chemistry - A European Journal 2005,
12(7),
2009-2020.
1495.
Wei Wu; Sason Shaik; William H. Saunders, Valence bond calculations on the transition state for the E2 reaction of fluoride ion with ethyl fluoride Implications for the More O'Ferrall Jencks diagram.
Canadian Journal of Chemistry 2005,
83(9),
1649-1653.
1496.
Lingchun Song; Minghong Liu; Wei Wu; Qianer Zhang; Yirong Mo, Origins of Rotational Barriers in Hydrogen Peroxide and Hydrazine.
Journal of Chemical Theory and Computation 2005,
1(3),
394-402.