DOI: 10.1021/cg049651n. Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules: Atomic Multipoles versus Point Charges

Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules: Atomic Multipoles versus Point Charges

10.1021/cg049651n

Crossref journal-article

American Chemical Society (ACS)

Crystal Growth & Design (316)

Bibliography

Day, G. M., Motherwell, W. D. S., & Jones, W. (2005). Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules:â Atomic Multipoles versus Point Charges. Crystal Growth & Design, 5(3), 1023â1033.

Authors 3

Graeme M. Day (first)
W. D. Sam Motherwell (additional)
William Jones (additional)

References 40 Referenced 108

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10.1107/S0108768102005669 / Acta Crystallogr. by Motherwell W. D. S. (2002)
{'key': 'cg049651nb00003/cg049651nb00003_1', 'author': 'Day G. M.', 'journal-title': 'Acta Crystallogr. B, submitted.'} / Acta Crystallogr. B, submitted. by Day G. M.
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10.1070/MC1999v009n03ABEH001058 / Mendeleev Commun. by Kostyanovsky R. G. (1999)

Dates

Type	When
Created	20 years, 3 months ago (May 4, 2005, 12:24 a.m.)
Deposited	3 years, 10 months ago (Oct. 10, 2021, 1:29 p.m.)
Indexed	1 month, 1 week ago (July 24, 2025, 7:15 a.m.)
Issued	20 years, 7 months ago (Jan. 20, 2005)
Published	20 years, 7 months ago (Jan. 20, 2005)
Published Online	20 years, 7 months ago (Jan. 20, 2005)
Published Print	20 years, 3 months ago (May 1, 2005)

Funders 0

None

BibTeX

@article{Day_2005, title={Beyond the Isotropic Atom Model in Crystal Structure Prediction of Rigid Molecules: Atomic Multipoles versus Point Charges}, volume={5}, ISSN={1528-7505}, url={http://dx.doi.org/10.1021/cg049651n}, DOI={10.1021/cg049651n}, number={3}, journal={Crystal Growth & Design}, publisher={American Chemical Society (ACS)}, author={Day, Graeme M. and Motherwell, W. D. Sam and Jones, William}, year={2005}, month=jan, pages={1023–1033} }

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