Ab Initio Investigation of Structure and Cohesive Energy of Crystalline Urea-Reference-Cited by-同舟云学术

Ab Initio Investigation of Structure and Cohesive Energy of Crystalline Urea

Published:2006-12-15 Issue:1 Volume:111 Page:26-33
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Civalleri B.¹,Doll K.¹,Zicovich-Wilson C. M.¹

Affiliation:

1. Dipartimento di Chimica IFM and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino, Italy, Institut für Mathematische Physik, Technische Universität Braunschweig, Mendelssohnstrasse, 3, 38106 Braunschweig, Germany, and Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, 62210 Cuernavaca, Mexico

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp065757c

Reference70 articles.

1. Density Functional Theory

2. Infrared Spectra of Hydrogen-Bonded Ionic Crystals: Ab Initio Study of Mg(OH)2 and β-Be(OH)2

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

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