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1

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

Stevens, Walter J., Krauss, Morris, Basch, Harold, Jasien, Paul G.

Journal:

Canadian Journal of Chemistry

Year:

1992

Language:

english

File:

PDF, 984 KB

english, 1992

2

Relativistic effective potential SCF calculations of AgH and AuH

M. Krauss, W. J. Stevens, Harold Basch

Journal:

Journal of Computational Chemistry

Year:

1985

Language:

english

File:

PDF, 605 KB

english, 1985

3

Multiplet splitting of core level binding energies in paramagnetic species and the unpaired orbital spin density distribution

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 591 KB

english, 1973

4

Improved convergence in orbital localization methods

Ronnie Barr, Harold Basch

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 534 KB

english, 1975

5

Approximate analytical orbital functions for second and third-row transition metals

Harold Basch, Harry B. Gray

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1966

Language:

english

File:

PDF, 591 KB

english, 1966

6

Compact effective potentials and efficient shared-exponent basis sets for the first- and second-row atoms

Stevens, Walter J., Basch, Harold, Krauss, Morris

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 819 KB

english, 1984

7

Mechanism of the Methane → Methanol Conversion Reaction Catalyzed by Methane Monooxygenase: A Density Functional Study

Basch, Harold, Mogi, Koichi, Musaev, Djamaladdin G., Morokuma, Keiji

Journal:

Journal of the American Chemical Society

Year:

1999

Language:

english

File:

PDF, 145 KB

english, 1999

8

Quantitation of Caseins and Whey Proteins of Processed Milks and Whey Protein Concentrates, Application of Gel Electrophoresis, and Comparison with Harland-Ashworth Procedure

Basch, Jay J., Douglas, Frederic W., Procino, Lisa G., Holsinger, V.H., Farrell, Harold M.

Journal:

Journal of Dairy Science

Year:

1985

Language:

english

File:

PDF, 1.24 MB

english, 1985

9

Harder than Diamond: Determining the Cross-Sectional Area and Young's Modulus of Molecular Rods

Lior Itzhaki, Eli Altus, Harold Basch, Shmaryahu Hoz

Journal:

Angewandte Chemie

Year:

2005

Language:

english

File:

PDF, 115 KB

english, 2005

10

Auxetics at the Molecular Level: A Negative Poisson's Ratio in Molecular Rods

Nir Pour, Lior Itzhaki, Benaya Hoz, Eli Altus, Harold Basch, Shmaryahu Hoz

Journal:

Angewandte Chemie

Year:

2006

Language:

english

File:

PDF, 174 KB

english, 2006

11

Harder than Diamond: Determining the Cross-Sectional Area and Young's Modulus of Molecular Rods

Lior Itzhaki, Eli Altus, Harold Basch, Shmaryahu Hoz

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 115 KB

english, 2005

12

Auxetics at the Molecular Level: A Negative Poisson's Ratio in Molecular Rods

Nir Pour, Lior Itzhaki, Benaya Hoz, Eli Altus, Harold Basch, Shmaryahu Hoz

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 175 KB

english, 2006

13

The binding of substituted cis-Pt(II)-diammines to duplex DNA

Sharon L. McCarthy, Robert J. Hinde, Kenneth J. Miller, Janet S. Anderson, Harold Basch, Morris Krauss

Journal:

Year:

1990

Language:

english

File:

PDF, 400 KB

english, 1990

14

Theoretical studies of cis-Pt(II)-diammine binding to duplex DNA

Sharon L. McCarthy, Robert J. Hinde, Kenneth J. Miller, Janet S. Anderson, Harold Basch, Morris Krauss

Journal:

Year:

1990

Language:

english

File:

PDF, 1.05 MB

english, 1990

15

The Photoelectron Spectrum of Tetrafluorobutatriene

Harold Basch, Gerhard Bieri, Edgar Heilbronner, Taylor B. Jones

Journal:

Helvetica Chimica Acta

Year:

1978

Language:

english

File:

PDF, 735 KB

english, 1978

16

Reduced basis set for the gold atom in cluster complexes

Harold Basch, Mark A. Ratner

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 218 KB

english, 2004

17

Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase

Maricel Torrent, Djamaladdin G. Musaev, Harold Basch, Keiji Morokuma

Journal:

Journal of Computational Chemistry

Year:

2002

Language:

english

File:

PDF, 396 KB

english, 2002

18

A SCF-MO calculation on nickel hexafluoride in a Gaussian basis

C. Hollister, Jules W. Moskowitz, Harold Basch

Journal:

Chemical Physics Letters

Year:

1969

Language:

english

File:

PDF, 160 KB

english, 1969

19

ESCA: chemical shifts of K-shell electron binding energies for first-row atoms in molecules

Harold Basch, Lawrence C. Snyder

Journal:

Chemical Physics Letters

Year:

1969

Language:

english

File:

PDF, 373 KB

english, 1969

20

Intersystem crossing in methylene

Tai Yup Chang, Harold Basch

Journal:

Chemical Physics Letters

Year:

1970

Language:

english

File:

PDF, 283 KB

english, 1970

21

On the interpretation of k-shell electron binding energy chemical shifts in molecules

Journal:

Chemical Physics Letters

Year:

1970

Language:

english

File:

PDF, 306 KB

english, 1970

22

Open-shell multi-configuration self-consistent-field results for the lowest energy 1(π, π*) state of planar ethylene

Journal:

Chemical Physics Letters

Year:

1973

Language:

english

File:

PDF, 446 KB

english, 1973

23

Satellite bands and the ion states of formamide

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 813 KB

english, 1976

24

A modified effective core potential for the copper atom: Low energy electronic states of CuO

Harold Basch, Roman Osman

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 409 KB

english, 1982

25

Electronic states of Al2

Harold Basch, W.J. Stevens, M. Krauss

Journal:

Chemical Physics Letters

Year:

1984

Language:

english

File:

PDF, 411 KB

english, 1984

26

Structure and bonding in the PtCO isoelectronic series

Journal:

Chemical Physics Letters

Year:

1985

Language:

english

File:

PDF, 266 KB

english, 1985

27

The electronic states of Al3

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 466 KB

english, 1987

28

Hydrogen bonding in Pt ammine complexes

Morris Krauss, Harold Basch, K.J. Miller

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 334 KB

english, 1988

29

The electronic states of TeO2

Harold Basch, D. Cohen, M. Albeck

Journal:

Chemical Physics Letters

Year:

1988

Language:

english

File:

PDF, 477 KB

english, 1988

30

Electrical properties of nucleic acid bases

Harold Basch, D.R. Garmer, P.G. Jasien, M. Krauss, W.J. Stevens

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 680 KB

english, 1989

31

The electronic structure of X3, X = O, S, Se and Te and their anions

Journal:

Chemical Physics Letters

Year:

1989

Language:

english

File:

PDF, 527 KB

english, 1989

32

The structure of glycine-water H-bonded complexes

Harold Basch, Walter J. Stevens

Journal:

Chemical Physics Letters

Year:

1990

Language:

english

File:

PDF, 472 KB

english, 1990

33

Valence bond energy curves for He22+

Harold Basch, Pinchas Aped, Shmaryahu Hoz

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 349 KB

english, 1996

34

Cation-aromatic bonding in Group 14 organometallics

Journal:

Inorganica Chimica Acta

Year:

1996

Language:

english

File:

PDF, 1.29 MB

english, 1996

35

Strain release is not enough

Ariel Sella, Harold Basch, Shmaryahu Hoz

Journal:

Tetrahedron Letters

Year:

1996

Language:

english

File:

PDF, 166 KB

english, 1996

36

Satellite bands in the X-Ray Photoelectron spectrum of formaldehyde

Journal:

Chemical Physics

Year:

1975

Language:

english

File:

PDF, 742 KB

english, 1975

37

Theoretical models for the interpretation of E.S.C.A. spectra

Journal:

Journal of Electron Spectroscopy and Related Phenomena

Year:

1974

Language:

english

File:

PDF, 2.12 MB

english, 1974

38

A multi-configurational study of the one-dimensional dissociation of azidopentazole (N8) and derived N7CH isomers

Moshe Goldberg, Shmaryahu Hoz, Harold Basch

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 152 KB

english, 2003

39

Charge transfer complexes between azidopentazole and aromatic nuclei

Ester Rozental, Moshe Goldberg, Harold Basch, Shmaryahu Hoz

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 170 KB

english, 2004

40

Density functional studies of the electronic and geometric structures of Pt3+, Pt3O+, Pt3O2+ and Pt3CH4+

Harold Basch, Djamaladdin G. Musaev, Keiji Morokuma

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 174 KB

english, 2002

41

An Ab Initio study of the permanganate ion

Albert P. Mortola, Harold Basch, Jules W. Moskowitz

Journal:

International Journal of Quantum Chemistry

Year:

1973

Language:

english

File:

PDF, 646 KB

english, 1973

42

Photodecomposition of ketene to form methylene

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1973

Language:

english

File:

PDF, 686 KB

english, 1973

43

Valence orbital ionization potentials from atomic spectral data

Harold Basch, Arlen Viste, Harry B. Gray

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1965

Language:

english

File:

PDF, 434 KB

english, 1965

44

The ellipsoidal gaussian basis in molecular orbital theory

Drora Cohen, Harold Basch

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1976

Language:

english

File:

PDF, 407 KB

english, 1976

45

A SCF-MO calculation on nickel hexafluoride in a gaussian basis

C. Hollister, Jules W. Moskowitz, Harold Basch

Journal:

Chemical Physics Letters

Year:

1969

Language:

english

File:

PDF, 65 KB

english, 1969

46

Mechanical aspects of molecular rods

Lior Itzhaki, Esther Rozental, Eli Altus, Harold Basch, Shmaryahu Hoz

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2010

Language:

english

File:

PDF, 621 KB

english, 2010

47

Resonance in formamide: resolution of contending models

Harold Basch, Shmaryahu Hoz

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 92 KB

english, 1998

48

Bond dissociation energies in organometallic compounds

Journal:

Inorganica Chimica Acta

Year:

1996

Language:

english

File:

PDF, 1.02 MB

english, 1996

49

An effective fragment method for modeling solvent effects in quantum mechanical calculations

Day, Paul N., Jensen, Jan H., Gordon, Mark S., Webb, Simon P., Stevens, Walter J., Krauss, Morris, Garmer, David, Basch, Harold, Cohen, Drora

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 535 KB

english, 1996

50

Charge separation of proteins complexed with sodium dodecyl sulfate by acid gel electrophoresis in the presence of cetyltrimethylammonium bromide

Jay J. Basch, Harold M. Farrell Jr.

Journal:

Biochimica et Biophysica Acta (BBA) - Protein Structure

Year:

1979

Language:

english

File:

PDF, 624 KB

english, 1979