Search Result "DFT matrix"


Letters in Organic Chemistry [ Investigation of the Aqueous Transmetalation of π-Allylpalladium with Indium: Some Theoretical and Experimental Evidence About the Nature of Allylindium Intermediates ]

Journal: Letters in Organic Chemistry
Volume: 3 Issue: 2 Year: 2006 Page: 98-102
Author(s): Francesco Ferrante, Gianfranco Fontana, Giuseppe Savona

Development, Validation, and Applications of Anisotropic Polarizable Molecular Mechanics to Study Ligand and Drug-Receptor Interactions

Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2121-2158
Author(s): Nohad Gresh

Hexahydro-Pyrrolo[1,2,5:3,4,5]Thiazolo[3,4-c]Oxazol-1-ones: New Chiral Tricyclic L-Cysteine and D-Penicillamine Derivatives

Journal: Letters in Organic Chemistry
Volume: 3 Issue: 1 Year: 2006 Page: 820-826
Author(s): Teresa M.V.D. Pinho e Melo, Susana M.M. Lopes, Antonio M. dA. Rocha Gonsalves, Agnieszka Kaczor, Rui Fausto, Jose A. Paixao, Ana Matos Beja, Manuela Ramos Silva

Studies of Neutral Rare-Gas Compounds and their Non-Covalent Interactions with Other Molecules

Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 791-803
Author(s): Sean A. C. McDowell

The Chemistry of Phosphinines: Syntheses, Coordination Chemistry and Catalysis

Journal: Current Organic Chemistry
Volume: 10 Issue: 1 Year: 2006 Page: 3-25
Author(s): Nicolas Mezailles, Pascal Le Floch

Magnitude and Physical Origin of Intermolecular Interactions of Aromatic Molecules: Recent Progress of Computational Studies

Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 745-762
Author(s): S. Tsuzuki, T. Uchimaru

The Strength of Weak Interactions: Aromatic Fluorine in Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 1473-1482
Author(s): Stephen G. DiMagno, Haoran Sun

Ruthenium Complexes as Anticancer Agents

Journal: Current Medicinal Chemistry
Volume: 13 Issue: 9 Year: 2006 Page: 1085-1107
Author(s): Irena Kostova

Phenazine 5,10-Dioxide Derivatives as Hypoxic Selective Cytotoxins: Part II. Structure-Activity Relationship Studies

Journal: Medicinal Chemistry
Volume: 2 Issue: 5 Year: 2006 Page: 511-521
Author(s): H. Cerecetto, M. Gonzalez, M. L. Lavaggi, M. A. Aravena, C. Rigol, C. Olea-Azar, A. Azqueta, A. Lopez de Cerain, A. Monge, A. M. Bruno

Molecular Modeling and Cyclodextrins: A Relationship Strengthened By Complexes

Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 715-729
Author(s): E. A. Castro, D. A. J. Barbiric

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