Uri Dinur

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New Approaches to Empirical Force Fields
Dinur, U. & Hagler, A. T., 1 Jan 2007, Reviews in Computational Chemistry II. wiley, p. 99-164 66 p.
Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review
34 Scopus citations
Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds
Ewig, C. S., Berry, R., Dinur, U., Hill, J. R., Hwang, M. J., Li, H., Liang, C., Maple, J., Peng, Z., Stockfisch, T. P., Thacher, T. S., Yan, L., Ni, X. & Hagler, A. T., 30 Nov 2001, In: Journal of Computational Chemistry. 22, 15, p. 1782-1800 19 p.
Research output: Contribution to journal › Article › peer-review
86 Scopus citations
Geometry‐dependent atomic charges: Methodology and application to alkanes, aldehydes, ketones, and amides
Dinur, U. & Hagler, A. T., 1 Jan 1995, In: Journal of Computational Chemistry. 16, 2, p. 154-170 17 p.
Research output: Contribution to journal › Article › peer-review
49 Scopus citations
Analytical representations of atomic partial charges and charge fluxes in dissociating systems
Dinur, U., 20 Apr 1994, In: Journal of Molecular Structure: THEOCHEM. 307, C, p. 73-80 8 p.
Research output: Contribution to journal › Article › peer-review
2 Scopus citations
A relationship between the molecular polarizability, molecular dipole moment and atomic electronegativities in AB and AB_n molecules
Dinur, U., 14 Jan 1994, In: Journal of Molecular Structure: THEOCHEM. 303, C, p. 227-237 11 p.
Research output: Contribution to journal › Article › peer-review
14 Scopus citations
Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules
Maple, J. R., Hwang, M. ‐., Stockfisch, T. P., Dinur, U., Waldman, M., Ewig, C. S. & Hagler, A. T., 1 Jan 1994, In: Journal of Computational Chemistry. 15, 2, p. 162-182 21 p.
Research output: Contribution to journal › Article › peer-review
792 Scopus citations
On the functional representation of bond energy functions
Dinur, U. & Hagler, A. T., 1 Jan 1994, In: Journal of Computational Chemistry. 15, 9, p. 919-924 6 p.
Research output: Contribution to journal › Article › peer-review
8 Scopus citations
Molecular polarizabilities from electronegativity equalization models
Dinur, U., 1 Jan 1993, In: Journal of Physical Chemistry. 97, 30, p. 7894-7898 5 p.
Research output: Contribution to journal › Article › peer-review
25 Scopus citations
Bond contraction and spectral blue-shift in hydrogen-bonded dimers. An atom-based molecular mechanics analysis
Dinur, U., 8 May 1992, In: Chemical Physics Letters. 192, 4, p. 399-406 8 p.
Research output: Contribution to journal › Article › peer-review
16 Scopus citations
The role of nonbond and charge flux in hydrogen bond interactions. The effect on structural changes and spectral shifts in water dimer
Dinur, U. & Hagler, A. T., 1 Jan 1992, In: Journal of Chemical Physics. 97, 12, p. 9161-9172 12 p.
Research output: Contribution to journal › Article › peer-review
21 Scopus citations

EXPERIMENTALLY DERIVED POINT CHARGES FOR PROTEINS
Dinur, U. (PI)
National Institute of General Medical Sciences
1/03/86 → 30/06/87
Project: Research

Uri Dinur

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