换一批2014年第43卷14期
共15篇1. The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes. 5089-105页
作者：Marc,Garcia-Borràs； Sílvia,Osuna； Josep M,Luis； Marcel,Swart； Miquel,Solà
2. Challenges in modelling homogeneous catalysis: new answers from ab initio molecular dynamics to the controversy over the Wacker process. 4940-52页
作者：András,Stirling； Nisanth N,Nair； Agustí,Lledós； Gregori,Ujaque
3. Understanding the reactivity of metallic nanoparticles: beyond the extended surface model for catalysis. 4922-39页
作者：Francesc,Viñes； José R B,Gomes； Francesc,Illas
4. The activation strain model and molecular orbital theory: understanding and designing chemical reactions. 4953-67页
作者：Israel,Fernández； F Matthias,Bickelhaupt
5. Conceptual DFT: chemistry from the linear response function. 4989-5008页
作者：Paul,Geerlings； Stijn,Fias； Zino,Boisdenghien； Frank,De Proft
6. A tutorial for understanding chemical reactivity through the valence bond approach. 4968-88页
作者：Dandamudi,Usharani； Wenzhen,Lai； Chunsen,Li； Hui,Chen； David,Danovich； Sason,Shaik
7. Chemical applications carried out by local pair natural orbital based coupled-cluster methods. 5032-41页
9. Quantum-chemical insights into mixed-valence systems: within and beyond the Robin-Day scheme. 5067-88页
10. How cyclobutanes are assembled in nature--insights from quantum chemistry. 5042-50页
作者：Young J,Hong； Dean J,Tantillo
11. Aromaticity in transition structures. 4909-21页
作者：Paul von Ragué,Schleyer； Judy I,Wu； Fernando P,Cossío； Israel,Fernández
