Search Result "DFT calculations."


Oxidation Reaction of Bis-Quinolizidine System: Synthesis of New 2-Methyl-17-Oxosparteine and 2-Methyl-α-Isosparteine

Journal: Letters in Organic Chemistry
Volume: 4 Issue: 1 Year: 2007 Page: 27-31
Author(s): Beata Jasiewicz, Wladyslaw Boczon

A Review of Density Functional Theory Quantum Mechanics as Applied to Pharmaceutically Relevant Systems

Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 4 Year: 2007 Page: 290-296
Author(s): Shenna M. LaPointe, Donald F. Weaver

Recent Advances in the Chemistry of Anellated Azaphospholes

Journal: Current Organic Chemistry
Volume: 11 Issue: 1 Year: 2007 Page: 33-47
Author(s): Raj K. Bansal, Neelima Gupta, Surendra K. Kumawat

An Unprecedented “Reverse” 1,2-Migration of a Nitro Group within an α-Aryl-β-nitroethenyl Moiety Driven by Steric and Stereoelectronic Effects

Journal: Letters in Organic Chemistry
Volume: 4 Issue: 4 Year: 2007 Page: 268-272
Author(s): Lara Bianchi, Gianluca Giorgi, Massimo Maccagno, Giovanni Petrillo, Egon Rizzato, Domenico Spinelli, Marco Stenta, Cinzia Tavani

Structural and Electronic Characteristics of a Series of Glycosidase Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 4 Issue: 8 Year: 2007 Page: 587-595
Author(s): R. D. Anderson, M. C. Milletti

15N NMR Spectroscopy in Structural Analysis: An Update (2001 - 2005)

Journal: Current Organic Chemistry
Volume: 11 Issue: 1 Year: 2007 Page: 1154-1205
Author(s): Radek Marek, Antonin Lycka, Erkki Kolehmainen, Elina Sievanen, Jaromir Tousek

Electron-Topological Method of the Non-Nucleoside HIV-1 RT Inhibitors Study: Structure-Activity Relationships

Journal: Current HIV Research
Volume: 5 Issue: 5 Year: 2007 Page: 449-458
Author(s): Fatma Kandemirli, Vasyl Kovalishyn, Sedat Giray Kandemirli

Radical Ion Generation Processes of Organic Compounds in Electrospray Ionization Mass Spectrometry

Journal: Mini-Reviews in Organic Chemistry
Volume: 4 Issue: 1 Year: 2007 Page: 75-87
Author(s): R. Vessecchi, A. E. M. Crotti, T. Guaratini, P. Colepicolo, S. E. Galembeck, N. P. Lopes

Bioinorganic Chemistry: The Study of the Fate of Platinum-Based Antitumour Drugs

Journal: Current Chemical Biology
Volume: 1 Issue: 3 Year: 2007 Page: 278-289
Author(s): Elisabetta Gabano, Mauro Ravera, Donato Colangelo, Domenico Osella

In-Silico Nanobio-Design. A New Frontier in Computational Biology

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1537-1540
Author(s): Raul E. Cachau, Fernando D. Gonzalez-Nilo, Oscar N. Ventura, Martin J. Fritts

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