Uri Dinur: search on Z-Library

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1

On the Quantum-Mechanical Kinetic Energy as a Measure of the Information in a Distribution

Sears, Stephen B., Parr, Robert G., Dinur, Uri

Journal:

Israel Journal of Chemistry

Year:

1980

Language:

english

File:

PDF, 828 KB

english, 1980

2

Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds

Carl S. Ewig, Rajiv Berry, Uri Dinur, Jörg-Rüdiger Hill, Ming-Jing Hwang, Haiying Li, Chris Liang, Jon Maple, Zhengwei Peng, Thomas P. Stockfisch, Thomas S. Thacher, Lisa Yan, Xiangshan Ni, Arnold T.

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 256 KB

english, 2001

3

Atomic multipoles and perpendicular electrostatic forces in diatomic and planar molecules

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 1.63 MB

english, 1991

4

Bond contraction and spectral blue-shift in hydrogen-bonded dimers. An atom-based molecular mechanics analysis

Journal:

Chemical Physics Letters

Year:

1992

Language:

english

File:

PDF, 652 KB

english, 1992

5

Derivation of Force Fields for Molecular Mechanics and Dynamics from ab initio Energy Surfaces

Jon R. Maple, Uri Dinur and Arnold T. Hagler

Journal:

Proceedings of the National Academy of Sciences

Year:

1988

Language:

english

File:

PDF, 1.09 MB

english, 1988

6

Force related atomic multipoles in planar molecules. Derivation of atomic quadrupole and octupole moments

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 1.21 MB

english, 1991

7

"Flexible" water molecules in external electrostatic potentials

Journal:

Journal of Physical Chemistry

Year:

1990

Language:

english

File:

PDF, 372 KB

english, 1990

8

Analytical representations of atomic partial charges and charge fluxes in dissociating systems

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 626 KB

english, 1994

9

Charge flux and electrostatic forces in planar molecules

Journal:

Journal of Physical Chemistry

Year:

1991

Language:

english

File:

PDF, 1.26 MB

english, 1991

10

Correlation effects in the excited states of polydiacetylene models

Uri Dinur, Martin Karplus

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 446 KB

english, 1982

11

The spectra of carbonium ions, cyanine dyes, and protonated Schiff base polyenes

Schulten, Klaus, Dinur, Uri, Honig, Barry

Journal:

The Journal of Chemical Physics

Year:

1980

Language:

english

File:

PDF, 853 KB

english, 1980

12

Direct evaluation of nonbonding interactions from ab initio calculations

Dinur, Uri, Hagler, Arnold T.

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 398 KB

english, 1989

13

Striking dependence of the rate of electronic radiationless transitions on the size of the molecular system

Benjamin Scharf, Uri Dinur

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 469 KB

english, 1984

14

On the interpretation of infrared intensities in planar molecular systems

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 494 KB

english, 1990

15

Enhancement by polar solute of interaction-induced IR absorption in liquid CS2

Shmuel Weiss, Uri Dinur

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 357 KB

english, 1983

16

Visual-pigment spectra: implications of the protonation of the retinal Schiff base

Honig, Barry, Greenberg, Allen D., Dinur, Uri, Ebrey, Thomas G.

Journal:

Year:

1976

Language:

english

File:

PDF, 825 KB

english, 1976

17

Molecular polarizabilities from electronegativity equalization models

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 575 KB

english, 1993

18

An external point-charge model for wavelength regulation in visual pigments

Honig, Barry, Dinur, Uri, Nakanishi, Koji, Balogh-Nair, Valeria, Gawinowicz, Mary Ann, Arnaboldi, Maria, Motto, Michael G.

Journal:

Journal of the American Chemical Society

Year:

1979

Language:

english

File:

PDF, 440 KB

english, 1979

19

RMS dipole moments of the valence excited states of linear polyenes

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 573 KB

english, 1982

20

On the nature of excited electronic states in cyanine dyes: implications for visual pigment spectra

Uri Dinur, Barry Honig, Klaus Schulten

Journal:

Chemical Physics Letters

Year:

1980

Language:

english

File:

PDF, 419 KB

english, 1980

21

The isomer dependence of oscillator strengths in retinal and related molecules. Spectroscopic assignments

Honig, Barry, Dinur, Uri, Birge, Robert R., Ebrey, Thomas G.

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 962 KB

english, 1980

22

A relationship between the molecular polarizability, molecular dipole moment and atomic electronegativities in AB and ABn molecules

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 827 KB

english, 1994

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