1. An Assessment of Alternative Low Level Calculation Methods for the Initial Selection of Conformers of Diastereomeric Esters. (23rd June 2014) Authors: Metsala, Andrus; Tamp, Sven; Danilas, Kady; Lille, Ülo; Villo, Ly; Vija, Sirje; Pehk, Tõnis; Parve, Omar Other Names: Ge Qingfeng Academic Editor. Journal: Journal of theoretical chemistry Issue: Volume 2014(2014) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Density Functional Theory with Modified Dispersion Correction for Metals Applied to Self-Assembled Monolayers of Thiols on Au(111). (23rd September 2013) Authors: Andersson, M. P. Other Names: Ge Qingfeng Academic Editor.; Kokalj Anton Academic Editor.; Koyama Michihisa Academic Editor. Journal: Journal of theoretical chemistry Issue: Volume 2013(2013) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Scale Alpha and Beta of Quantitative Convergence and Chemical Reactivity Analysis in Dual Cholinesterase/Monoamine Oxidase Inhibitors for the Alzheimer Disease Treatment Using Density Functional Theory (DFT). (22nd December 2013) Authors: Morales-Bayuelo, Alejandro; Baldiris, Rosa; Vivas-Reyes, Ricardo Other Names: Borosky Gabriela Academic Editor.; Ge Qingfeng Academic Editor.; Koyama Michihisa Academic Editor.; Lamsabhi Al Mokhtar Academic Editor.; Russo Nino Academic Editor.; Sajan D. Academic Editor. Journal: Journal of theoretical chemistry Issue: Volume 2013(2013) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗