Search Result "quantum states"


Quantum Chemical Approaches: Semiempirical Molecular Orbital and Hybrid Quantum Mechanical/Molecular Mechanical Techniques

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3293-3302
Author(s): Richard A. Bryce,Ian H. Hillier

Transition-State-Guided Drug Design for Treatment of Parasitic Neglected Tropical Diseases

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 15 Year: 2014 Page: 1781-1793
Author(s): A.S. Murkin,M.M. Moynihan

Quantum Chemical Assessment of the Interaction of Potential Anticorrosion Additives with Steel Surface

Journal: Innovations in Corrosion and Materials Science (Discontinued)
Volume: 4 Issue: 2 Year: 2014 Page: 107-117
Author(s): Ime B. Obot

Triplet Excited States as a Source of Relevant (Bio)Chemical Information

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 2 Year: 2014 Page: 2734-2742
Author(s): M. Consuelo Jimenez, Miguel A. Miranda

Antibacterial Effect Assessment of CdSe Nanoparticles

Journal: Current Nanoscience
Volume: 10 Issue: 4 Year: 2014 Page: 562-565
Author(s): G.R. Amiri,N. Kianpour,S. Fatahian

Microwave Synthesis and Electrophoretic Deposition of TiO2 on Steel Substrate for Natural Dye and CdS Quantum Dots Sensitized Photoelectrochemical Cells

Journal: Nanoscience & Nanotechnology-Asia
Volume: 4 Issue: 1 Year: 2014 Page: 60-68
Author(s): Ashok K. Singh

Quantum Chemistry Study on the Electronic Structures and Spectroscopic Properties of Dioxoosmium Complex Ions [OsO2(L)4]2± (L=CN, CO and CCH)

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 71-80
Author(s): Yu H. Zhang,Carlton A. Taft

Molecular Packing and Solid-state Fluorescence of Conjugated Compounds of Carbazole-acrylonitrile Derivatives

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 137-150
Author(s): Maria J. Percino,Victor M. Chapela,Margarita Ceron,Guillermo Soriano-Moro,Maria E. Castro,Francisco J. Melendez

Structural Studies on N-(1-naphthyl)-3-amino-5-oxo-4-phenyl-1Hpyrazole- 1-carboxamide with Antibacterial Activity

Journal: Letters in Organic Chemistry
Volume: 11 Issue: 1 Year: 2014 Page: 40-48
Author(s): Agnieszka A. Kaczor, Tomasz Wrobel, Zbigniew Karczmarzyk, Waldemar Wysocki, Andrzej Fruzinski, Malgorzata Brodacka, Dariusz Matosiuk, Monika Pitucha

Docking Modes of BB-3497 into the PDF Active Site – A Comparison of the Pure MM and QM/MM Based Docking Strategies

Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 4 Year: 2014 Page: 315-326
Author(s): Tripti Kumari,Upasana Issar,Rita Kakkar

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