Advanced search
Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 34, 1977 - Issue 6
Submit an article Journal homepage
17
Views
15
CrossRef citations to date
0
Altmetric
Original Articles

A critical evaluation of isotropic potential functions for chlorine

Calculations on the three phases of p-dichlorobenzene at 100 K

Michael G. Munowitz Sterling Chemistry Laboratory, Yale University, New Haven, Connecticut, 06520, U.S.A.
,
George L. Wheeler Sterling Chemistry Laboratory, Yale University, New Haven, Connecticut, 06520, U.S.A.
&
Steven D. Colson Sterling Chemistry Laboratory, Yale University, New Haven, Connecticut, 06520, U.S.A.
Pages 1727-1737 | Received 27 Apr 1977, Published online: 22 Aug 2006

Citations (15)

Keep up to date with the latest research on this topic with citation updates for this article.

Subscribe to citation updates

Read on this site (3)

Graeme M. Day. (2011) Current approaches to predicting molecular organic crystal structures. Crystallography Reviews 17:1, pages 3-52.
Read now
SarahL. Price. (1988) Is the Isotropic Atom—Atom Model Potential Adequate?. Molecular Simulation 1:3, pages 135-156.
Read now
P.A. Reynolds. (1979) An X-ray diffraction study of the crystal structures of hexamethylethane and its phase transitions. Molecular Physics 37:5, pages 1333-1348.
Read now

Articles from other publishers (12)

Kenneth B. Wiberg. (2021) Halogen–Halogen Nonbonded Interactions. ACS Omega 6:23, pages 15199-15204.
Crossref
Iain D. H. Oswald, David R. Allan, Graeme M. Day, W. D. Samuel Motherwell & Simon Parsons. (2005) Realizing Predicted Crystal Structures at Extreme Conditions:  The Low-Temperature and High-Pressure Crystal Structures of 2-Chlorophenol and 4-Fluorophenol. Crystal Growth & Design 5:3, pages 1055-1071.
Crossref
Graeme M. Day & Sarah L. Price. (2003) A Nonempirical Anisotropic Atom−Atom Model Potential for Chlorobenzene Crystals. Journal of the American Chemical Society 125:52, pages 16434-16443.
Crossref
M-M. Thiéry & C. Rérat. (2003) Calculation of crystal and molecular structures of the temperature and pressure polymorphs of para-dichlorobenzene p-C6H4Cl2. The Journal of Chemical Physics 118:24, pages 11100-11110.
Crossref
Stephen J. Maginn, Richard G. Compton, Mark S. Harding, Colin M. Brennan & Robert Docherty. (1993) Evidence for anisotropy in chlorine/nitrogen interactions in the cyanuric chloride crystal structure. Tetrahedron Letters 34:27, pages 4349-4352.
Crossref
S. L. Price. 1991. Computer Simulation in Materials Science. Computer Simulation in Materials Science 183 208 .
Sarah L. Price. 1989. Computer Modelling of Fluids Polymers and Solids. Computer Modelling of Fluids Polymers and Solids 29 54 .
A. P. J. M. Jongenelis, T. H. M. van den Berg, A. P. J. Jansen, J. Schmidt & A. van der Avoird. (1988) Vibron band structure in chlorinated benzene crystals: Lattice dynamics calculations and Raman spectra of 1,2,4,5-tetrachlorobenzene. The Journal of Chemical Physics 89:7, pages 4023-4034.
Crossref
Kenneth B. Wiberg & Mark A Murcko. (2004) Nonbonded interactions. 1. Anisotropic hydrogen‐hydrogen interactions. Journal of Computational Chemistry 8:8, pages 1124-1130.
Crossref
T. Luty, A. van der Avoird & A. Mierzejewski. (1979) Lattice dynamics of tetracyanoethylene. Chemical Physics Letters 61:1, pages 10-14.
Crossref
D. L. Crafts, James C. Bellows & Paras N. Prasad. (2005) Molecular reorientations and intermolecular interactions: Raman spectra of the three crystalline phases of p ‐dichlorobenzene . Journal of Raman Spectroscopy 7:6, pages 316-320.
Crossref
Freeman P. Chen & Paras N. Prasad. (1978) Atom-atom interaction model and internal vibrational exciton splittings in organic charge-transfer complexes: Factor group splittings of naphthalene vibrations in several crystalline complexes. Chemical Physics 34:2, pages 219-224.
Crossref

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Order Reprints Request Corporate Permissions

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

Request Academic Permissions

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.