1. "Solved and unsolved problems of structural chemistry" by Milan Randić, Marjana Novič, and Dejan Plavšić CRC Press, Boca Raton, 2016, XX+472 pp. ISBN 13‐978‐1‐4987‐1151‐7. Issue 21 (30th April 2019) Authors: Carbó‐Dorca, Ramon Journal: Journal of computational chemistry Issue: Volume 40:Issue 21(2019) Page Start: 1880 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. "Solvent hydrogen‐bond occlusion": A new model of polar desolvation for biomolecular energetics. Issue 16 (20th March 2017) Authors: Bazzoli, Andrea; Karanicolas, John Other Names: Hirst Jonathan guestEditor.; Im Wonpil guestEditor.; Shea Joan‐Emma guestEditor. Journal: Journal of computational chemistry Issue: Volume 38:Issue 16(2017) Page Start: 1321 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. (Ala)4‐X‐(Ala)4 as a model system for the optimization of the χ1 and χ2 amino acid side‐chain dihedral empirical force field parameters. Issue 7 (29th November 2012) Authors: Shim, Jihyun; Zhu, Xiao; Best, Robert B.; MacKerell, Alexander D. Journal: Journal of computational chemistry Issue: Volume 34:Issue 7(2013) Page Start: 593 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. 1, 2‐migration in N‐phosphano functionalized N‐heterocyclic carbenes. Issue 1 (3rd November 2014) Authors: Kirilchuk, Andrey A.; Yurchenko, Aleksandr A.; Kostyuk, Aleksandr N.; Rozhenko, Alexander B. Journal: Journal of computational chemistry Issue: Volume 36:Issue 1(2014) Page Start: 42 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. 1, 3-Oxazole derivatives as potential anticancer agents: Computer modeling and experimental study. (December 2016) Authors: Semenyuta, Ivan; Kovalishyn, Vasyl; Tanchuk, Vsevolod; Pilyo, Stepan; Zyabrev, Vladimir; Blagodatnyy, Volodymyr; Trokhimenko, Olena; Brovarets, Volodymyr; Metelytsia, Larysa Journal: Computational biology and chemistry Issue: Volume 65(2016) Page Start: 8 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. 1, 3-Oxazole derivatives of cytisine as potential inhibitors of glutathione reductase of Candida spp.: QSAR modeling, docking analysis and experimental study of new anti-Candida agents. (February 2021) Authors: Metelytsia, Larysa O.; Trush, Maria M.; Kovalishyn, Vasyl V.; Hodyna, Diana M.; Kachaeva, Maryna V.; Brovarets, Volodymyr S.; Pilyo, Stepan G.; Sukhoveev, Volodymyr V.; Tsyhankov, Serhii A.; Blagodatnyi, Volodymyr M.; Semenyuta, Ivan V. Journal: Computational biology and chemistry Issue: Volume 90(2021) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. 1, 3‐Dipolar cycloadditions of Stone–Wales defective single‐walled carbon nanotubes: A theoretical study. Issue 26 (6th July 2013) Authors: Yang, Tao; Zhao, Xiang; Nagase, Shigeru Journal: Journal of computational chemistry Issue: Volume 34:Issue 26(2013) Page Start: 2223 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. 1, 3‐Dipolar cycloadditions of Stone–Wales defective single‐walled carbon nanotubes: A theoretical study. Issue 26 (6th July 2013) Authors: Yang, Tao; Zhao, Xiang; Nagase, Shigeru Journal: Journal of computational chemistry Issue: Volume 34:Issue 26(2013) Page Start: 2223 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. 129Xe NMR chemical shift in Xe@C60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent. Issue 22 (23rd May 2013) Authors: Standara, Stanislav; Kulhánek, Petr; Marek, Radek; Straka, Michal Journal: Journal of computational chemistry Issue: Volume 34:Issue 22(2013) Page Start: 1890 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. 18‐electron rule and the 3c/4e hyperbonding saturation limit. Issue 2 (14th November 2015) Authors: Landis, C. R.; Weinhold, F. Journal: Journal of computational chemistry Issue: Volume 37:Issue 2(2016) Page Start: 237 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗