Ab Initio Study of 2H Nuclear Quadrupole Coupling Constants in Deuterated Crystalline Oxalic Acid Dehydrated Polymorphs-Reference-Cited by-同舟云学术

Ab Initio Study of 2H Nuclear Quadrupole Coupling Constants in Deuterated Crystalline Oxalic Acid Dehydrated Polymorphs

Published:2013-04-22 Issue:1 Volume:575 Page:188-201
ISSN:1542-1406
Container-title:Molecular Crystals and Liquid Crystals
language:en
Short-container-title:Molecular Crystals and Liquid Crystals

Author:

Samaniego Cuauhtémoc¹,Rodríguez-Zavala J. G.²,Tenorio F. J.²,Flores-Moreno R.³

Affiliation:

1. a College of Engineering and Technology , The American University of the Middle East , Dasman , Kuwait

2. b Departamento de Ciencias Exactas y Tecnologías , Centro Universitario de Los Lagos, Universidad de Guadalajara , Lagos de Moreno, Jalisco , México

3. c Departamento de Química Centro Universitario de Ciencias Exactas e Ingenierías , Universidad de Guadalajara Blvd. , Marcelino García Barragán Guadalajara, Jalisco , México

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemistry

Link

https://www.tandfonline.com/doi/pdf/10.1080/15421406.2013.768500

Reference51 articles.

1. Ab initio approach to molecular crystals: A periodic Hartree–Fock study of crystalline urea

2. Mechanical and molecular properties of ice VIII from crystal‐orbital ab initio calculations

3. Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea

4. Periodic Hartree-Fock calculation of the A1g (Tz) and Eg (Tx, Ty) phonon modes in ice VIII

5. Hartree–Fock and DFT calculations of quadrupole coupling constants in water clusters and ice

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