Advance Search | Bentham Science

A DFT/B3LYP Investigation of Sulfur Doping at 6.25% on ZnO Material

Journal: Current Physical Chemistry
Volume: 5 Issue: 3 Year: 2015 Page: 263-267
Author(s): Luis H. da Silveira Lacerda, Sergio R. de Lazaro, Caue R. de Oliveira

Reliable but Timesaving: In Search of an Efficient Quantum-chemical Method for the Description of Functional Fullerenes

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1845-1858
Author(s): H. Reis,B. Rasulev,M.G. Papadopoulos,J. Leszczynski

Theoretical Study and Principal Component Analysis of Focal Adhesion Kinase Inhibitors

Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 337-346
Author(s):

A New Index for the Estimation of the Aromatic Character - VI

Journal: Letters in Organic Chemistry
Volume: 12 Issue: 7 Year: 2015 Page: 482-490
Author(s): .

The Effect of Solvent on Tautomerization of 4-bromo Substituted 1HPyrazoles: Density Functional Theory Study

Journal: Letters in Organic Chemistry
Volume: 12 Issue: 5 Year: 2015 Page: 344-351
Author(s): Mohsen Sargolzaei,Mahdi Afshar

Theoretical Investigation on PEDOT Polymeric Chain Structure through Dimeric Rotational Barrier

Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 301-307
Author(s):

Î±-Glucosidase activity of oleanolic acid and its oxidative metabolites: DFT and Docking studies

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 15 Issue: 14 Year: 2015 Page: 1148-1158
Author(s): El Hassane Anouar,Nur Shahidatul Shida Zakaria,Ali Alsalme,Syed Adnan Ali Shah

DFT Study and NBO Analysis of Conformational Properties of 2-Substituted 2-Oxo-1,3,2-Dioxaphosphorinanes and Their Dithia and Diselena Analogs

Journal: Letters in Organic Chemistry
Volume: 12 Issue: 7 Year: 2015 Page: 516-522
Author(s): Fatemeh Azarakhshi,Mehrnoosh Khaleghian,Nazanin Farhadyar

A New Index for the Estimation of the Aromatic Character - VIII

Journal: Letters in Organic Chemistry
Volume: 12 Issue: 8 Year: 2015 Page: 549-559
Author(s):

Green Approach to Stereoselective Synthesis of Benzo[d]chromeno[3,4- h]oxathiazonine Derivatives via MCRs in Water: A Combined Experimental and DFT Study

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 10 Year: 2015 Page: 990-999
Author(s): Hoorieh Djahaniani,Farzaneh Fatemi,Fatemeh Ektefa,Bita Mohtat,Behrouz Notash

Search

Find Journals, Volumes, Issues, Articles, Ebooks and Chapters

Search Result "B3LYP"