Search Result "TDDFT"


Computational Investigations on Organic Sensitizers for Dye-Sensitized Solar Cell

Journal: Current Organic Synthesis
Volume: 9 Issue: 2 Year: 2012 Page: 215-232
Author(s): Mariachiara Pastore, Edoardo Mosconi, Simona Fantacci, Filippo De Angelis

Theoretical Studies of the Structure and Properties of Anticancer Drug Taxol

Journal: Current Organic Chemistry
Volume: 16 Issue: 1 Year: 2012 Page: 2321-2331
Author(s): Meiling Zhang, Ce Song, Zhi Yao, Qiang Ji

Pigments with Molecular Sieve Matrices

Journal: Current Physical Chemistry
Volume: 2 Issue: 2 Year: 2012 Page: 200-210
Author(s): Stanislaw Kowalak, Aldona Jankowska, Anna Zywert

Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts

Chemical and Bioactive Diversities of the Genus Chaetomium Secondary Metabolites

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 2 Year: 2012 Page: 127-148
Author(s): Q. Zhang, H.-Q. Li, S.-C. Zong, J.-M. Gao, A.-L. Zhang

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