Search Result "Aug-cc-pVTZ-J"
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
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
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
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
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
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
First Principles Computational Biochemistry with deMon2k
Ebook: Frontiers in Computational Chemistry
Volume: 2 Year: 2015
Author(s): A. Alvarez-Ibarra,P. Calaminici,A. Goursot,C. Z. Gómez-Castro,R. Grande-Aztatzi,T. Mineva,D. R. Salahub,J. M. Vásquez-Pérez,A. Vela,B. Zuniga-Gutierrez,A. M. Köster
Doi: 10.2174/9781608059782115020009