William E Palke : rechercher sur Z-Library

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1

Electronegativity: The density functional viewpoint

Parr, Robert G., Donnelly, Robert A., Levy, Mel, Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1978

Langue:

english

Fichier:

PDF, 757 KB

english, 1978

2

The local orbital energy and density functional theory

Ralph G. Pearson, William E. Palke

Journal:

International Journal of Quantum Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 398 KB

english, 1990

3

The Hamiltonians of NMR. part I

Scott A. Smith, William E. Palke, J. T. Gerig

Journal:

Concepts in Magnetic Resonance Part A

Année:

1992

Langue:

english

Fichier:

PDF, 3.57 MB

english, 1992

4

The Hamiltonians of NMR. Part II

Scott A. Smith, William E. Palke, J. T. Gerig

Journal:

Concepts in Magnetic Resonance Part A

Année:

1992

Langue:

english

Fichier:

PDF, 1.23 MB

english, 1992

5

The Hamiltonians of NMR. Part III

Scott A. Smith, William E. Palke, J. T. Gerig

Journal:

Concepts in Magnetic Resonance Part A

Année:

1993

Langue:

english

Fichier:

PDF, 1.73 MB

english, 1993

6

Valence shell electron pair interactions in water and hydrogen sulfide. A test of the valence shell electron pair repulsion theory

Palke, William E., Kirtman, Bernard

Journal:

Journal of the American Chemical Society

Année:

1978

Langue:

english

Fichier:

PDF, 612 KB

english, 1978

7

Relaxation in the presence of an rf field

William E. Palke, J. T. Gerig

Journal:

Concepts in Magnetic Resonance Part A

Année:

1997

Langue:

english

Fichier:

PDF, 177 KB

english, 1997

8

The hamiltonians of NMR. Part IV: NMR relaxation

Scott A. Smith, William E. Palke, J. T. Gerig

Journal:

Concepts in Magnetic Resonance Part A

Année:

1994

Langue:

english

Fichier:

PDF, 1.33 MB

english, 1994

9

Vibrational energy transfer in near resonance due to dipole–dipole interactions

Miriam Lev-on, William E. Palke, Roger C. Millikan

Journal:

International Journal of Chemical Kinetics

Année:

1973

Langue:

english

Fichier:

PDF, 753 KB

english, 1973

10

Cross-Correlation Effects on NMR Lineshapes and Peptide Conformation

Miroslava Čuperlović, William E. Palke, J.T. Gerig, G.A. Gray

Journal:

Journal of Magnetic Resonance, Series B

Année:

1996

Langue:

english

Fichier:

PDF, 264 KB

english, 1996

11

Pulsed Field Gradients in Simulations of One- and Two-Dimensional NMR Spectra

Ghirmai H. Meresi, Miroslava Cuperlovic, William E. Palke, J.T. Gerig

Journal:

Journal of Magnetic Resonance

Année:

1999

Langue:

english

Fichier:

PDF, 130 KB

english, 1999

12

Spin Relaxation and Chemical Exchange in NMR Simulations

Miroslava Cuperlovic, Ghirmai H Meresi, William E Palke, J.T Gerig

Journal:

Journal of Magnetic Resonance

Année:

2000

Langue:

english

Fichier:

PDF, 148 KB

english, 2000

13

Calculations of the barrier to internal rotation in ethyl flouride: A comparison with ethane

William E. Palke

Journal:

Chemical Physics Letters

Année:

1972

Langue:

english

Fichier:

PDF, 406 KB

english, 1972

14

Multiquantum rotational transitions in the mechanism of vibrational energy exchange: Application to CO*-CO

Mirriam Lev-On, William E. Palke, Roger C. Millikan

Journal:

Chemical Physics Letters

Année:

1974

Langue:

english

Fichier:

PDF, 509 KB

english, 1974

15

A study of the ethane internal rotation barrier

Philip A. Christiansen, William E. Palke

Journal:

Chemical Physics Letters

Année:

1975

Langue:

english

Fichier:

PDF, 565 KB

english, 1975

16

Calculations of the bending potentials of MgOH and BeOH

William E. Palke, Bernard Kirtman

Journal:

Chemical Physics Letters

Année:

1985

Langue:

english

Fichier:

PDF, 219 KB

english, 1985

17

The CH bond energy of formaldehyde

William E. Palke, Bernard Kirtman

Journal:

Chemical Physics Letters

Année:

1988

Langue:

english

Fichier:

PDF, 279 KB

english, 1988

18

On the structure and photodissociation dynamics of Ar+3

Michael T. Bowers, William E. Palke, Kathleen Robins, Coleen Roehl, Sherrie Walsh

Journal:

Chemical Physics Letters

Année:

1991

Langue:

english

Fichier:

PDF, 547 KB

english, 1991

19

The lowest energy structures of C+7, C7 and C−7. An ab initio study

Gert von Helden, William E. Palke, Michael T. Bowers

Journal:

Chemical Physics Letters

Année:

1993

Langue:

english

Fichier:

PDF, 492 KB

english, 1993

20

Theory of electron spin g-values for peroxy radicals

Douglas C McCain, William E Palke

Journal:

Journal of Magnetic Resonance (1969)

Année:

1969

Langue:

english

Fichier:

PDF, 951 KB

english, 1969

21

Theoretical treatment of relaxation in the presence of an RF field

Scott A Smith, William E Palke, J.T Gerig

Journal:

Journal of Magnetic Resonance (1969)

Année:

1969

Langue:

english

Fichier:

PDF, 410 KB

english, 1969

22

Small chain approximation for the electronic structure of polyacetylene

Bernard Kirtman, William B. Nilsson, William E. Palke

Journal:

Solid State Communications

Année:

1983

Langue:

english

Fichier:

PDF, 374 KB

english, 1983

23

The effect of image charges on molecular adsorption

William E. Palke

Journal:

Surface Science Letters

Année:

1980

Langue:

english

Fichier:

PDF, 200 KB

english, 1980

24

Structures and energies of small carbon clusters: what experiment and theory have to say about C+8, C+9 and C+10

Gert von Helden, Nigel G. Gotts, William E. Palke, Michael T. Bowers

Journal:

International Journal of Mass Spectrometry and Ion Processes

Année:

1994

Langue:

english

Fichier:

PDF, 1.26 MB

english, 1994

25

Application of the distinguishable electron method

Delano P. Chong, William R. Scott, Chee P. Yue, Pearl S. C. Wang, Margaret L. Benston, William E. Palke

Journal:

International Journal of Quantum Chemistry

Année:

1974

Langue:

english

Fichier:

PDF, 580 KB

english, 1974

26

Local orbital eigenvalues and basis set balance

William E. Palke

Journal:

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

Année:

1987

Langue:

english

Fichier:

PDF, 228 KB

english, 1987

27

Photophysical and ab Initio Studies of Mononuclear Copper(I) Complexes

Simon, Jerald A., Palke, William E., Ford, Peter C.

Journal:

Inorganic Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 197 KB

english, 1996

28

The photoluminescence properties of the copper(I) clusters Cu4I4A4 (A = aromatic amine) in solution

Kevin R. Kyle, William E. Palke, Peter C. Ford

Journal:

Coordination Chemistry Reviews

Année:

1990

Langue:

english

Fichier:

PDF, 580 KB

english, 1990

29

The effect of image charges on molecular adsorption

William E. Palke

Journal:

Surface Science

Année:

1980

Langue:

english

Fichier:

PDF, 288 KB

english, 1980

30

Tests of the orbital stasis and orbital following models

William E. Palke, Bernard Kirtman

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1983

Langue:

english

Fichier:

PDF, 476 KB

english, 1983

31

Effects of exchange energy and orbital orthogonality on barriers to internal rotation

Christiansen, Phillip A., Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1977

Langue:

english

Fichier:

PDF, 829 KB

english, 1977

32

Bonding in cyclopropane

Hamilton, Jason G., Palke, William E.

Journal:

Journal of the American Chemical Society

Année:

1993

Langue:

english

Fichier:

PDF, 685 KB

english, 1993

33

Are bonds bent? To what extent do bond orbitals follow nuclear motions?

Chipman, Daniel M., Palke, William E., Kirtman, Bernard

Journal:

Journal of the American Chemical Society

Année:

1980

Langue:

english

Fichier:

PDF, 839 KB

english, 1980

34

Support for a principle of maximum hardness

Pearson, Ralph G., Palke, William E.

Journal:

Journal of Physical Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 387 KB

english, 1992

35

[Part 1: Physical Sciences] || Electron Density Functions for Simple Molecules

Ralph G. Pearson and William E. Palke

Journal:

Proceedings of the National Academy of Sciences

Année:

1980

Langue:

english

Fichier:

PDF, 423 KB

english, 1980

36

Ab initio studies of the copper(I) tetramers Cu4X4L4 (X = I, Br, Cl). Effects of cluster structure and of halide on photophysical properties

Vitale, Marcello, Ryu, Chong Kul, Palke, William E., Ford, Peter C.

Journal:

Inorganic Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 809 KB

english, 1994

37

The Valence Bond Orbital Model as an Interpretive Framework for Understanding Electronic Structure

Kirtman, Bernard, Palke, William E., Chipman, Daniel M.

Journal:

Israel Journal of Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 530 KB

english, 1980

38

Orbital hybridization

Kirtman, Bernard, Chipman, Daniel M., Palke, William E.

Journal:

Journal of the American Chemical Society

Année:

1977

Langue:

english

Fichier:

PDF, 387 KB

english, 1977

39

Molecular SCF Calculations on CH 4 , C 2 H 2 , C 2 H 4 , C 2 H 6 , BH 3 , B 2 H 6 , NH 3 , and HCN

Palke, William E., Lipscomb, William N.

Journal:

Journal of the American Chemical Society

Année:

1966

Langue:

english

Fichier:

PDF, 908 KB

english, 1966

40

Calculations of barriers to internal rotation in propene and monofluoropropenes

English, Alan D., Palke, William E.

Journal:

Journal of the American Chemical Society

Année:

1973

Langue:

english

Fichier:

PDF, 367 KB

english, 1973

41

Double bonds are bent equivalent hybrid (banana) bonds

Palke, William E.

Journal:

Journal of the American Chemical Society

Année:

1986

Langue:

english

Fichier:

PDF, 271 KB

english, 1986

42

The electronic chemical potential and the H atom in the H2 molecule

Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1980

Langue:

english

Fichier:

PDF, 485 KB

english, 1980

43

Energy formulas for atoms and molecules

Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1984

Langue:

english

Fichier:

PDF, 446 KB

english, 1984

44

Calculation of the magnetic susceptibility of H2 by the distinguishable electron method

Pflug, Donald R., Palke, William E., Kirtman, Bernard

Journal:

The Journal of Chemical Physics

Année:

1977

Langue:

english

Fichier:

PDF, 772 KB

english, 1977

45

Electronic Structure of LiH According to a Generalization of the Valence-Bond Method

Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1969

Langue:

english

Fichier:

PDF, 823 KB

english, 1969

46

Comment on model potential vs ab initio anharmonic (cubic) force constants for ethane

Kirtman, Bernard, Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1977

Langue:

english

Fichier:

PDF, 385 KB

english, 1977

47

On the Internal Rotation Potential in H2O2

Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1967

Langue:

english

Fichier:

PDF, 376 KB

english, 1967

48

Photodissociation of CO−3: Product kinetic energy measurements as a probe of excited state potential surfaces and dissociation dynamics

Snodgrass, Joseph T., Roehl, Coleen M., van Koppen, Petra A. M., Palke, William E., Bowers, Michael T.

Journal:

The Journal of Chemical Physics

Année:

1990

Langue:

english

Fichier:

PDF, 970 KB

english, 1990

49

Molecular Self-Consistent-Field Calculations on B4H4

Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1966

Langue:

english

Fichier:

PDF, 412 KB

english, 1966

50

The infrared spectroscopy of chemisorbed molecules; a dynamical theory of the line shape

Metiu, Horia, Palke, William E.

Journal:

The Journal of Chemical Physics

Année:

1978

Langue:

english

Fichier:

PDF, 702 KB

english, 1978