31. [Cu6(NGuaS)6]2+ and its oxidized and reduced derivatives: Confining electrons on a torus. Issue 20 (10th April 2017) Authors: Witte, Matthias; Rohrmüller, Martin; Gerstmann, Uwe; Henkel, Gerald; Schmidt, Wolf Gero; Herres‐Pawlis, Sonja Journal: Journal of computational chemistry Issue: Volume 38:Issue 20(2017) Page Start: 1752 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
32. [DBU‐H]+ and H2o as effective catalyst form for 2, 3‐dihydropyrido[2, 3‐d]pyrimidin‐4(1H)‐ones: A DFT Study. Issue 17 (23rd April 2015) Authors: Yuan, Haiyan; Zhang, Jingping Journal: Journal of computational chemistry Issue: Volume 36:Issue 17(2015) Page Start: 1295 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
33. A 10‐year survey of trace metals in sediments using self‐organizing maps. (25th March 2014) Authors: Besada, Victoria; Quelle, Cristina; Andrade, José Manuel; Gutiérrez, Noemí; Gómez‐Carracedo, María Paz; Schultze, Fernando Journal: Journal of chemometrics Issue: Volume 28:Number 7(2014:Jul.) Page Start: 558 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
34. A balance-evolution artificial bee colony algorithm for protein structure optimization based on a three-dimensional AB off-lattice model. (February 2015) Authors: Li, Bai; Chiong, Raymond; Lin, Mu Journal: Computational biology and chemistry Issue: Volume 54(2015) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
35. A balanced procedure for the treatment of cluster–ligand interactions on gold phosphine systems in catalysis. Issue 13 (20th March 2014) Authors: Mollenhauer, Doreen; Gaston, Nicola Journal: Journal of computational chemistry Issue: Volume 35:Issue 13(2014) Page Start: 986 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
36. A Bayesian sparse reconstruction method for fault detection and isolation. (17th March 2015) Authors: Zeng, Jiusun; Huang, Biao; Xie, Lei Journal: Journal of chemometrics Issue: Volume 29:Number 6(2015:Jun.) Page Start: 349 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
37. 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) ↗
38. A benchmark of optimally folded protein structures using integer programming and the 3D-HP-SC model. (February 2020) Authors: Hattori, Leandro Takeshi; Gutoski, Matheus; Vargas Benítez, César Manuel; Nunes, Luiz Fernando; Lopes, Heitor Silvério Journal: Computational biology and chemistry Issue: Volume 84(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
39. A Bioinformatics approach to designing a Zika virus vaccine. (June 2017) Authors: Dey, Sumanta; Nandy, Ashesh; Basak, Subhash C.; Nandy, Papiya; Das, Sukhen Journal: Computational biology and chemistry Issue: Volume 68(2017) Page Start: 143 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
40. A bootstrap estimation scheme for chemical compositional data with nondetects. (2nd April 2014) Authors: Palarea‐Albaladejo, Javier; Martín‐Fernández, Josep Antoni; Olea, Ricardo Antonio Journal: Journal of chemometrics Issue: Volume 28:Number 7(2014:Jul.) Page Start: 585 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗