CHBC Faculty Publications

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Author: Magyarfalvi, Gabor

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TitlePublication NamePub. TypeYear
Shielding calculations: GIAO methodsEncyclopedia of NMRBook Section2012
Reliability of computed signs and intensities for vibrational circular dichroism spectraPhysical Chemistry Chemical PhysicsJournal Article2011
Ab initio calculation and interpretation of vibrational circular dichroism spectroscopy parametersAbstracts of Papers of the American Chemical SocietyAbstract2006
Assessment of density functional methods for nuclear magnetic resonance shielding calculationsJournal of Chemical PhysicsJournal Article2003
Large-scale SCF, DFT and local MP2 electronic structure calculations on clusters of inexpensive computers: Structures of phthalocyanines, and NMR shieldings in peptides.Abstracts of Papers of the American Chemical SocietyAbstract1998
Chemical-Shift Anisotropies in Silicon-Containing 3-Membered Rings - an Ab-Initio StudyChemical Physics LettersJournal Article1995
Basis-Set and Correlation-Effects in the Calculation of Selenium Nmr ShieldingsChemical Physics LettersJournal Article1994