Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived Radicals-Reference-Cited by-同舟云学术

Density Functional Calculations of Hyperfine Coupling Constants in Alanine-Derived Radicals

Published:1999-07-30 Issue:33 Volume:103 Page:6650-6657
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lahorte Philippe¹,De Proft Frank¹,Vanhaelewyn Gauthier¹,Masschaele Bert¹,Cauwels Peter¹,Callens Freddy¹,Geerlings Paul¹,Mondelaers Wim¹

Affiliation:

1. Department of Subatomic and Radiation Physics, Radiation Physics Group, Gent University, Proeftuinstraat 86, B-9000 Gent, Belgium, Member of IBITECH; Eenheid Algemene Chemie (ALGC), Free University of Brussels, Pleinlaan 2, B-1050 Brussels, Belgium, and Laboratory for Crystallography and Study of the Solid State, Gent University, Krijgslaan 281-S1, B-9000 Gent, Belgium

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp990942u

Reference49 articles.

1. Radiation Damage in Organic Crystals. II. Electron Spin Resonance of (CO2H)CH2CH(CO2H) in β‐Succinic Acid

2. Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

3. Molecular orbital theory of the electronic structure of organic compounds. II. Spin densities in paramagnetic species

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