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1

Positron annihilation from F centers of alkali halide crystals

Kanhere, D. G., Farazdel, Abbas, Smith, Vedene H.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 276 KB

english, 1987

2

A data mining and ab initio study of the interaction between the aromatic and backbone amide groups in proteins

Guilin Duan, Vedene H. Smith Jr., Donald F. Weaver

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 289 KB

english, 2000

3

Radial momentum distributions for the 2S ground state of the lithium atom

Robert Benesch, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1970

Language:

english

File:

PDF, 320 KB

english, 1970

4

The electron—electron cusp condition for the spherical average of the intracule matrix

Ajit J. Thakkar, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 420 KB

english, 1976

5

Localized molecular orbital studies in momentum space. I. compton profiles of 1s core electrons and hydrocarbons

Vedene H. Smith Jr., M.H. Whangbo

Journal:

Chemical Physics

Year:

1974

Language:

english

File:

PDF, 828 KB

english, 1974

6

Localized molecular orbital studies in momentum space. II. Correspondence between coordinate and momentum space properties of various electron pairs

M.H. Whangbo, Vedene H. Smith Jr., Wolfgang Von Niessen

Journal:

Chemical Physics

Year:

1974

Language:

english

File:

PDF, 705 KB

english, 1974

7

Correlation effects in X-Ray and electron scattering

Robert Benesch, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1969

Language:

english

File:

PDF, 365 KB

english, 1969

8

Natural orbitals in momentum space and correlated radial momentum distributions: I. The 1S ground state of li+

Robert Benesch, Vedene H. Smith Jr

Journal:

International Journal of Quantum Chemistry

Year:

1970

Language:

english

File:

PDF, 294 KB

english, 1970

9

Exact and asymptotic X-ray intensity values from 20-parameter hylleraas-type wave functions. He and He-like ions

Robert Benesch, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1971

Language:

english

File:

PDF, 492 KB

english, 1971

10

An integral transform method for solving a quantum mechanical three-body problem with exponential-type potentials

Piotr Petelenz, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 510 KB

english, 1980

11

Anisotropic electronic intracule densities for diatomics

Ajit J. Thakkar, A. N. Tripathi, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1984

Language:

english

File:

PDF, 428 KB

english, 1984

12

Invalidity of the ubiquitous mass-velocity operator in quasirelativistic theories

Abbas Farazdel, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1986

Language:

english

File:

PDF, 217 KB

english, 1986

13

Data mining, ab initio, and molecular mechanics study on conformation of phenylalanine and its interaction with neighboring backbone amide groups in proteins

Guilin Duan, Vedene H. Smith Jr., Donald F. Weaver

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 381 KB

english, 2002

14

Characterization of aromatic-thiol π-type hydrogen bonding and phenylalanine-cysteine side chain interactions through ab initio calculations and protein database analyses

DUAN, GUILIN, SMITH, VEDENE H., WEAVER, DONALD F.

Journal:

Molecular Physics

Year:

2001

Language:

english

File:

PDF, 989 KB

english, 2001

15

Momentum-space properties of the neutral atoms from H through U

William M. Westgate, Robin P. Sagar, Abbas Farazdel, Vedene H. Smith Jr., Alfredo M. Simas, Ajit J. Thakkar

Journal:

Atomic Data and Nuclear Data Tables

Year:

1991

Language:

english

File:

PDF, 1.12 MB

english, 1991

16

The Laplacian of the charge density and its relationship to the shell structure of atoms and ions

Sagar, Robin P., Ku, Andrew C. T., Smith, Vedene H., Simas, Alfredo M.

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 763 KB

english, 1988

17

A Comprehensive Study of Alkane Nonbonded Empirical Force Fields. Suggestions for Improved Parameter Sets

Nagy, Jenoe, Weaver, Donald F., Smith, Vedene H.

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 1002 KB

english, 1995

18

The Z −1 Expansion of the Nuclear Magnetic Shielding Constant and X-Ray Form Factor for 2-, 3-, and 4-Electron Ions

Benesch, Robert, Singh, S. R., Smith Jr., Vedene H.

Journal:

Canadian Journal of Physics

Year:

1972

Language:

english

File:

PDF, 285 KB

english, 1972

19

Be Atom Ground State

Benesch, Robert, Smith, Vedene H.

Journal:

Physical Review A

Year:

1972

Language:

english

File:

PDF, 807 KB

english, 1972

20

Exchange Study of Atomic Krypton and Tetrahedral Semiconductors

Stukel, D. J., Euwema, R. N., Collins, T. C., Smith, Vedene H.

Journal:

Physical Review B

Year:

1970

File:

PDF, 2.07 MB

1970

21

Projection of Exact Spin Eigenfunctions

Smith, Vedene H.

Journal:

Journal of Mathematical Physics

Year:

1969

Language:

english

File:

PDF, 724 KB

english, 1969

22

( x =0 and 1)

Szpunar, Barbara, Smith, Vedene H.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 345 KB

english, 1992

23

and

Szpunar, Barbara, Smith, Vedene H.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 700 KB

english, 1988

24

ions in CdS

Petelenz, Piotr, Smith, Vedene H.

Journal:

Physical Review B

Year:

1980

Language:

english

File:

PDF, 91 KB

english, 1980

25

Electronic properties and magnetism in high-T_{c} superconductors

Szpunar, Barbara, Smith, Vedene

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 290 KB

english, 1988

26

Electronic structure of γ-C

Mei, Chang-Jiang, Smith, Vedene H.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 111 KB

english, 1992

27

Effective electron-hole interaction potentials and the binding energies of exciton-ionized-donor complexes

Smith, Vedene H., Petelenz, Piotr

Journal:

Physical Review B

Year:

1978

Language:

english

File:

PDF, 870 KB

english, 1978

28

Mass-ratio dependence and critical binding of exciton-ionized donor complex in polar crystals

Petelenz, Piotr, Smith, Vedene H.

Journal:

Physical Review B

Year:

1981

Language:

english

File:

PDF, 264 KB

english, 1981

29

[AIP AIP Conference Proceedings Volume 181 - ()] AIP Conference Proceedings - Integral transform wave functions in the solution of the quantum mechanical three body problem

Smith, Vedene H., Petelenz, Piotr

Year:

1988

Language:

english

File:

PDF, 633 KB

english, 1988

30

Exact finite series for the few-body auxiliary functions

Alexei M. Frolov, Vedene H. Smith Jr.

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 175 KB

english, 1997

31

Shannon entropy of chemical changes: SN2 displacement reactions

Minhhuy Hô, Hartmut L. Schmider, Donald F. Weaver, Vedene H. Smith Jr., Robin P. Sagar, Rodolfo O. Esquivel

Journal:

International Journal of Quantum Chemistry

Year:

2000

Language:

english

File:

PDF, 391 KB

english, 2000

32

Derivation of net atomic charges from molecular electrostatic potentials

Robert J. Woods, Maged Khalil, Wendy Pell, Steven H. Moffat, Vedene H. Smith Jr.

Journal:

Journal of Computational Chemistry

Year:

1990

Language:

english

File:

PDF, 1.07 MB

english, 1990

33

An examination of intermolecular and intramolecular hydrogen bonding in biomolecules by AM1 and MNDO/M semiempirical molecular orbital studies

Maged Khalil, Robert J. Woods, Donald F. Weaver, Vedene H. Smith Jr.

Journal:

Journal of Computational Chemistry

Year:

1991

Language:

english

File:

PDF, 908 KB

english, 1991

34

Examination of a new intermolecular potential function

Vedene H. Smith Jr., Ajit J. Thakkar

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 278 KB

english, 1972

35

Electron correlation and the compton profile of atomic neon

Vedene H. Smith Jr., Richard Edwin Brown

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 450 KB

english, 1973

36

Mist: A New Interatomic Potential Function

Ajit J. Thakkar, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 515 KB

english, 1974

37

A critical study of high energy electron scattering from H2

J.W. Liu, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 542 KB

english, 1977

38

Explanation for the structural differences of S2+4, S04 and S2−4

Aniko E. Foti, Vedene H. Smith Jr., Dennis R. Salahub

Journal:

Chemical Physics Letters

Year:

1978

Language:

english

File:

PDF, 408 KB

english, 1978

39

Vibronic coupling in excited charge-transfer states of solid-state charge-transfer complexes

Janusz Mrozek, Piotr Petelenz, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 273 KB

english, 1982

40

Reconsideration of the electroabsorption spectrum of the anthracene crystal

Barbara Petelenz, Piotr Petelenz, H.F. Shurvell, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 451 KB

english, 1987

41

A numerical study of molecular information entropies

Minhhuy Hô, Robin P. Sagar, José M. Pérez-Jordá, Vedene H. Smith Jr., Rodolfo O. Esquivel

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 494 KB

english, 1994

42

Evaluation of electron pair densities and their Laplacians in atomic systems

Jiahu Wang, Vedene H. Smith Jr.

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 405 KB

english, 1994

43

Ring and other contributions to the higher virial coefficients

Ajit J. Thakkar, Vedene H. Smith Jr.

Journal:

Computer Physics Communications

Year:

1975

Language:

english

File:

PDF, 480 KB

english, 1975

44

Calculation of orbital moments in solids

Barbara Szpunar, Vedene H. Smith Jr.

Journal:

Journal of Solid State Chemistry

Year:

1990

Language:

english

File:

PDF, 916 KB

english, 1990

45

Internally folded densities

Ajit J. Thakkar, Alfredo M. Simas, Vedene H. Smith Jr

Journal:

Chemical Physics

Year:

1981

Language:

english

File:

PDF, 593 KB

english, 1981

46

An AB initio molecular orbital study of the ammonium radical

Blair N. McMaster, Janusz Mrozek, Vedene H. Smith Jr.

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 1.09 MB

english, 1982

47

A quantum chemical investigation of the ammonium radical. I. SCF-Xα-SW calculations of the electronic structure and Rydberg spectra

Ewa Broclawik, Janusz Mrozek, Vedene H. Smith Jr.

Journal:

Chemical Physics

Year:

1982

Language:

english

File:

PDF, 636 KB

english, 1982

48

Rydberg transitions in the ammonium radical: Scattered-wave local-spin-density calculations

Johannes Kaspar, Vedene H. Smith Jr.

Journal:

Chemical Physics

Year:

1984

Language:

english

File:

PDF, 590 KB

english, 1984

49

The stability and specrta of isotopic forms of the ammonium radical: An ab initio CI study of the dissociation barrier

Johannes Kaspar, Vedene H. Smith Jr., Blair N. McMaster

Journal:

Chemical Physics

Year:

1985

Language:

english

File:

PDF, 1.42 MB

english, 1985

50

Reconsideration of the electroabsorption spectra of the tetracene and pentacene crystals

Barbara Petelenz, Piotr Petelenz, Herbert F. Shurvell, Vedene H. Smith Jr.

Journal:

Chemical Physics

Year:

1988

Language:

english

File:

PDF, 1.33 MB

english, 1988