Search Result "theoretical calculations"


Bis-quinolizidine Complexes: Structure, Spectroscopic Properties and Theoretical Calculations

Journal: Mini-Reviews in Organic Chemistry
Volume: 10 Issue: 3 Year: 2013 Page: 217-226
Author(s): Beata Jasiewicz, Tomasz Pospieszny

A Theoretical Study of Substitution Effect on an Electrocyclization Reaction

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 5 Year: 2013 Page: 408-412
Author(s): Mohammad Reza Zardoost, Seyyed Amir Siadati

Experimental and Theoretical Studies of Photoluminescence in ZnS Obtained by Microwave-Assisted Solvothermal Method

Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 413-418
Author(s): Mateus M. Ferrer,Yuri V.B. de Santana,Cristiane W. Raubach,Julio R. Sambrano,Elson Longo

A Theoretical Investigation of ZnO Nanotubes: Size and Diameter

Journal: Current Physical Chemistry
Volume: 3 Issue: 4 Year: 2013 Page: 400-407
Author(s): Eduardo de Moraes,Ricardo Gargano,José R. dos Santos Politi,Elton A. S. de Castro,José Divino dos Santos,Elson Longo,C. A. Taft,João B. L. Martins

Theoretical Investigations of Heterogeneous Olefin Metathesis Catalysts

Journal: Current Organic Chemistry
Volume: 17 Issue: 22 Year: 2013 Page: 2796-2813
Author(s): Jaroslaw Handzlik,Kamil Kurleto

A Perspective on Quantum Mechanics Calculations in ADMET Predictions

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner

Calculation Methods for the Enhancement of Pharmaceutical Properties in Small Molecules: Estimating the Cationic pKa

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4310-4315
Author(s): Ann R. Hermone, Rick Gussio

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Iron-Sulfur Clusters in Proteins: Mutagenesis Studies and Theoretical Predictions of the Control of Redox Potential - A Review

Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 44-54
Author(s): Gerard M. Jensen

Review of Bioinformatics and Theoretical Studies of Acetylcholinesterase Inhibitors

Journal: Current Bioinformatics
Volume: 8 Issue: 4 Year: 2013 Page: 496-510
Author(s): Francisco J. Prado-Prado, Manuel Escobar, Xerardo Garcia-Mera

Synthesis of New β-Carboline Derivatives Fused with β-Lactam Rings: An Experimental and Theoretical Study

Journal: Current Organic Chemistry
Volume: 17 Issue: 1 Year: 2013 Page: 1894-1902
Author(s): Matyas Milen, Peter Abranyi-Balogh, Zoltan Mucsi, Andras Dancso, David Frigyes, Laszlo Pongo, Gyorgy Keglevich

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