Dispersion-corrected DFT study of methano and ethano bridged Wilcox torsion balances Benjamin G. JaneskoMark R. Ams Regular Article 09 May 2014 Article: 1490
Influence of collision energy on the dynamics of the reaction H (2S) + NH (X3Σ−) → N (4S) + H2 (X1Σ g + ) by the state-to-state quantum mechanical study Cui-Xia YaoPei-Yu ZhangGuang-Jiu Zhao Regular Article 23 April 2014 Article: 1489
Isaiah Shavitt: Computational chemistry pioneer S. C. ZimmermanR. M. Pitzer Overview 27 April 2014 Article: 1488
Finite-temperature full configuration interaction Zhuangfei KouSo Hirata Regular Article 22 April 2014 Article: 1487
A Hirshfeld interpretation of the charge, spin distribution and polarity of the dipole moment of the open shell \( \left( {^{3} \Sigma^{ - } } \right) \) phosphorus halides: PF and PCl James F. Harrison Regular Article 17 April 2014 Article: 1486
The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme Xiaoqian ZhangYufang LiuYong Wang Regular Article 17 April 2014 Article: 1485
Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories Amir KartonLi-Juan YuJan M. L. Martin Regular Article 16 April 2014 Article: 1483
Trihalide cations MF3 +, MCl3 + and MBr 3 + , M = B, Al, Ga: pseudo Jahn–Teller coupling, electronic spectra and ionization potentials of MX3 Friedrich Grein Regular Article 23 April 2014 Article: 1482