화학공학소재연구정보센터
검색결과 : 35건
No. Article
1 Revealing a Decisive Role for Secondary Coordination Sphere Nucleophiles on Methane Activation
Anderson ME, Braida B, Hiberty PC, Cundari TR
Journal of the American Chemical Society, 142(6), 3125, 2020
2 Nature of the Three-Electron Bond
Danovich D, Foroutan-Nejad C, Hiberty PC, Shaik S
Journal of Physical Chemistry A, 122(7), 1873, 2018
3 Classical Valence Bond Approach by Modern Methods
Wu W, Su PF, Shaik S, Hiberty PC
Chemical Reviews, 111(11), 7557, 2011
4 A Clear Correlation between the Diradical Character of 1,3-Dipoles and Their Reactivity toward Ethylene or Acetylene
Braida B, Walter C, Engels B, Hiberty PC
Journal of the American Chemical Society, 132(22), 7631, 2010
5 Valence Bond Perturbation Theory. A Valence Bond Method That Incorporates Perturbation Theory
Chen ZH, Song JS, Shaik S, Hiberty PC, Wu W
Journal of Physical Chemistry A, 113(43), 11560, 2009
6 Heterolytic bond dissociation in water: Why is it so easy for C4H9Cl but not for C3H9SiCl?
Su PF, Song LC, Wu W, Shaik S, Hiberty PC
Journal of Physical Chemistry A, 112(13), 2988, 2008
7 Application of the Valence Bond Mixing Configuration Diagrams to Hypervalency in Trihalide Anions: A Challenge to the Rundle-Pimentel Model
Braida B, Hiberty PC
Journal of Physical Chemistry A, 112(50), 13045, 2008
8 Barriers of hydrogen abstraction vs halogen exchange: An experimental manifestation of charge-shift bonding
Hiberty PC, Megret C, Song LC, Wu W, Shaik S
Journal of the American Chemical Society, 128(9), 2836, 2006
9 Valence bond calculations of hydrogen transfer reactions: A general predictive pattern derived from theory
Su PF, Song LC, Wu W, Hiberty PC, Shark S
Journal of the American Chemical Society, 126(41), 13539, 2004
10 What makes the trifluoride anion F-3(-) so special? A breathing-orbital valence bond ab initio study
Braida B, Hiberty PC
Journal of the American Chemical Society, 126(45), 14890, 2004