Search Result "Aug-cc-pVTZ-J"


open access plus

On the Use of Locally Dense Basis Sets in the Calculation of EPR Hyperfine Couplings: A Study on Model Systems for Bio-Inorganic Fe and Co Complexes

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 270-283
Author(s): Birgitte O. Milhoj,Erik D. Hedegard,Stephan P. A. Sauer

open access plus

Optimizing the Structure of Tetracyanoplatinate (II): A Comparison of Relativistic Density Functional Theory Methods

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 3 Issue: 3 Year: 2013 Page: 213-219
Author(s): Asmus O. Dohn,Klaus B. Moller,Stephan P. A. Sauer

Generation, Identification, and Synthetic Applications of Nitrile Sulfides and Nitrile Selenides

Journal: Current Organic Chemistry
Volume: 15 Issue: 1 Year: 2011 Page: 1734-1744
Author(s): Melinda Krebsz, Tibor Pasinszki

The Synthesis, Reactivity and NMR Investigation on 15N-Thiophosphoramidates (Supplementary Material)

Journal: Letters in Organic Chemistry
Volume: 6 Issue: 8 Year: 2009 Page: 642-647
Author(s): Tomasz Ruman, Karolina Dlugopolska, Agata Jurkiewicz, Dagmara Kramarz, Tomasz Fraczyk, Andrzej Les, Wojciech Rode

Ring Versus Nitrogen Protonation of Anilines

Journal: Letters in Organic Chemistry
Volume: 1 Issue: 1 Year: 2004 Page: 23-30
Author(s): Robert Flammang, Noemie Dechamps, Laurent Pascal, Yves Van Haverbeke, Pascal Gerbaux, Pham-Cam Nam, Minh Tho Nguyen

Review Article

Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites

Journal: Current Medicinal Chemistry
Volume: 25 Issue: 2 Year: 2018 Page: 287-320
Author(s): Stefano Superchi,Patrizia Scafato,Marcin Gorecki,Gennaro Pescitelli

Chlorine Isotope Effects on Chemical Reactions

Journal: Current Organic Chemistry
Volume: 9 Issue: 1 Year: 2005 Page: 75-88
Author(s): D. Sicinska, M. Rostkowski, P. Paneth

Theoretical Insights into Dispersion and Hydrogen-Bonding Interactions in Biomolecular Systems

Journal: Current Organic Chemistry
Volume: 14 Issue: 2 Year: 2010 Page: 129-137
Author(s): Alexander Pavlov, Petar M. Mitrasinovic

Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods

Journal: Current Organic Chemistry
Volume: 15 Issue: 1 Year: 2011 Page: 1843-1862
Author(s): Sheng-Ding Zhao, Lan Shen, Du-Qiang Luo, Hua-Jie Zhu

Determination of Absolute Configuration of Natural Products: Theoretical Calculation of Electronic Circular Dichroism as a Tool

Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1678-1697
Author(s): Xing-Cong Li, Daneel Ferreira, Yuanqing Ding

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