1. A Bayesian statistical approach of improving knowledge‐based scoring functions for protein–ligand interactions. Issue 12 (13th March 2014) Authors: Grinter, Sam Z.; Zou, Xiaoqin Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: 932 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Cooperativity and cluster growth patterns in acetonitrile: A DFT study. Issue 12 (10th March 2014) Authors: Remya, Karunakaran; Suresh, Cherumuttathu H. Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: 910 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Cover Image, Volume 35, Issue 12. Issue 12 (5th May 2014) Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: v Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Cover Image, Volume 35, Issue 12. Issue 12 (5th May 2014) Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: i Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Cover Image, Volume 35, Issue 12. Issue 12 (5th May 2014) Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: iii Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Exchange coupling and magnetic anisotropy in a family of bipyrimidyl radical‐bridged dilanthanide complexes: Density functional theory and ab initio calculations. Issue 12 (19th February 2014) Authors: Zhang, Yi‐Quan; Luo, Cheng‐Lin; Zhang, Qiang Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: 904 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. How much tetraradical character is present in the Si6Ge9 cluster?. Issue 12 (4th March 2014) Authors: Casanova, David Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: 944 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Metalophilic interaction in gold halide: Quantum chemical study of AuX (X = Fat). Issue 12 (4th March 2014) Authors: Li, Xinying Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: 923 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Rapid determination of RMSDs corresponding to macromolecular rigid body motions. Issue 12 (24th February 2014) Authors: Popov, Petr; Grudinin, Sergei Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: 950 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. ST‐analyzer: A web‐based user interface for simulation trajectory analysis. Issue 12 (17th March 2014) Authors: Jeong, Jong Cheol; Jo, Sunhwan; Wu, Emilia L.; Qi, Yifei; Monje‐Galvan, Viviana; Yeom, Min Sun; Gorenstein, Lev; Chen, Feng; Klauda, Jeffery B.; Im, Wonpil Journal: Journal of computational chemistry Issue: Volume 35:Issue 12(2014) Page Start: 957 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗