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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

Regio- and Diastereoselective Nitroso Diels-Alder Cycloaddition Reactions of 3-dienyl-2-azetidinones with Nitrosoarenes

Journal: Letters in Organic Chemistry
Volume: 9 Issue: 6 Year: 2012 Page: 411-421
Author(s): Amit Anand,Gaurav Bhargava,Pardeep Singh,Saloni Mehra,Vipan Kumar,Mohinder P. Mahajan,Parvesh Singh,Krishna Bisetty

The Efficacy of Conceptual DFT Descriptors and Docking Scores on the QSAR Models of HIV Protease Inhibitors

Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 811-825
Author(s): Hemant Kumar Srivastava,Chinmayee Choudhury,G. Narahari Sastry

Understanding the Bond Formation in Hetero-Diels-Alder Reactions. An ELF Analysis of the Reaction of Nitroethylene with Dimethylvinylamine

Journal: Current Organic Chemistry
Volume: 16 Issue: 1 Year: 2012 Page: 2343-2351
Author(s): Luis R. Domingo, Patricia Perez, M. Jose Aurell, Jose A. Saez

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

Catalytic Effect of Organoaluminium Chloride Reagents on the Dienophilic Reactivity of Indolizine and 2-Phosphaindolizine towards [2+4] Cycloaddition: A DFT Investigation

Journal: Current Catalysis
Volume: 1 Issue: 2 Year: 2012 Page: 93-99
Author(s): Neelima Gupta,Rajendra K. Jangid,Raj K. Bansal,Moritz von Hopffgarten

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

Experimental and Theoretical Study on the Electrochemical Behavior of Zofenopril and its Voltammetric Determination

Journal: Current Pharmaceutical Analysis
Volume: 8 Issue: 4 Year: 2012 Page: 339-348
Author(s): Ibrahim Hudai Tasdemir,Abdulilah Ece,Esma Kilic

QSAR and QM/MM Approaches Applied to Drug Metabolism Prediction

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 573-582
Author(s): R. C. Braga,C. H. Andrade

Conformational Studies of Symmetric Diesters

Journal: Current Organic Chemistry
Volume: 16 Issue: 9 Year: 2012 Page: 1151-1158
Author(s): Hanjoung Cho,R. Benjamin Alexander,Satomi Niwayama

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