1. Dispersion-corrected DFT study of methano and ethano bridged Wilcox torsion balances

   • Benjamin G. Janesko
   • Mark R. Ams

   Regular Article 09 May 2014 Article: 1490

   

2. 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 Yao
   • Pei-Yu Zhang
   • Guang-Jiu Zhao

   Regular Article 23 April 2014 Article: 1489

   

3. Isaiah Shavitt: Computational chemistry pioneer

   • S. C. Zimmerman
   • R. M. Pitzer

   Overview 27 April 2014 Article: 1488

   

4. Finite-temperature full configuration interaction

   • Zhuangfei Kou
   • So Hirata

   Regular Article 22 April 2014 Article: 1487

   

5. 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

   

6. The influence of the adjacent hydrogen bond on the hydroxylation processes mediated by cytochrome P450 side-chain cleavage enzyme

   • Xiaoqian Zhang
   • Yufang Liu
   • Yong Wang

   Regular Article 17 April 2014 Article: 1485

   

7. Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theories

   • Amir Karton
   • Li-Juan Yu
   • Jan M. L. Martin

   Regular Article 16 April 2014 Article: 1483

8. 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