Search Result "Density Functional Theory"


Regio- and Stereoselectivity of the 1,3-Dipolar Cycloaddition of Pyridinium-3-olates and Pyrazinium-3-olates with Methyl Methacrylate: A Density Functional Theory Exploration

Journal: Current Organic Chemistry
Volume: 16 Issue: 14 Year: 2012 Page: 1711-1722
Author(s): Lydia Rhyman,Hassan H. Abdallah,Sabina Jhaumeer-Laulloo,Luis R. Domingo,John A. Joule,Ponnadurai Ramasami

A Blueprint for a Mutationist Theory of Replicative Strand Asymmetries Formation

Journal: Current Genomics
Volume: 13 Issue: 1 Year: 2012 Page: 55-64
Author(s): Vladislav V. Khrustalev, Eugene V. Barkovsky

Quantum-Mechanical Studies of Reactions Performed by Cytochrome P450 Enzymes

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 292-315
Author(s): Patrik Rydberg,Lars Olsen,Ulf Ryde

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

Functional Signaling Biases in G Protein-Coupled Receptors: Game Theory and Receptor Dynamics

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 9 Year: 2012 Page: 831-840
Author(s): S. Maudsley,S. A. Patel,S.-S. Park,L. M. Luttrell,B. Martin

A DFT Study on the Mechanism of Samarium (II)-catalyzed Cyclopropanation Synthesis with α,β -unsaturated Carboxylic Acids, Alcohols and Amides

Journal: Current Organic Chemistry
Volume: 16 Issue: 16 Year: 2012 Page: 1934-1941
Author(s): Xinghui Zhang,Zhiyuan Geng,Yongcheng Wang,Dongmei Wang,Xiufang Hou

Computational and Experimental Studies of Molecularly Imprinted Polymers for Organochlorine Pesticides Heptachlor and DDT

Journal: Current Analytical Chemistry
Volume: 8 Issue: 4 Year: 2012 Page: 562-568
Author(s): Kanchan Singh,S. Balasubramanian,B.E. Amitha Rani

In Silico Methods Applied in Food Chemistry: A Short Review with Bitter and Mutagenic Compounds

Journal: Letters in Drug Design & Discovery
Volume: 9 Issue: 5 Year: 2012 Page: 527-534
Author(s): Luciana Scotti, Hamilton Ishiki, Marcelo J.P. Ferreira, Francisco J.B.M. Junior, Vicente de P. Emerenciano,Marcelo S. Silva, Marcus T. Scotti

Functional Dynamics of Proteins Elucidated by Statistical Analysis of Simulation Data

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 443-451
Author(s): Burak Alakent,Zeynep Kurkcuoglu,Pemra Doruker

Based on 9-gram Coding of Amino Acids Predicting Proteases Types by Using Support Vector Machine

Journal: Recent Patents on Computer Science
Volume: 5 Issue: 3 Year: 2012 Page: 220-225
Author(s): Cunshuan Xu,Ruijia Shi

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