换一批2014年第43卷14期
共15篇1. How cyclobutanes are assembled in nature--insights from quantum chemistry. 5042-50页
作者：Young J,Hong； Dean J,Tantillo
2. Quantum-chemical insights into mixed-valence systems: within and beyond the Robin-Day scheme. 5067-88页
3. 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
4. Chemical applications carried out by local pair natural orbital based coupled-cluster methods. 5032-41页
5. The activation strain model and molecular orbital theory: understanding and designing chemical reactions. 4953-67页
作者：Israel,Fernández； F Matthias,Bickelhaupt
6. 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
7. 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
9. Versatile reactivity of Pd-catalysts: mechanistic features of the mono-N-protected amino acid ligand and cesium-halide base in Pd-catalyzed C-H bond functionalization. 5009-31页
作者：Djamaladdin G,Musaev； Travis M,Figg； Alexey L,Kaledin
11. New bonding modes of carbon and heavier group 14 atoms Si-Pb. 5106-39页
作者：Gernot,Frenking； Ralf,Tonner； Susanne,Klein； Nozomi,Takagi； Takayazu,Shimizu； Andreas,Krapp； Krishna K,Pandey； Pattiyil,Parameswaran
12. Aromaticity in transition structures. 4909-21页
作者：Paul von Ragué,Schleyer； Judy I,Wu； Fernando P,Cossío； Israel,Fernández
