D. Zeroka : rechercher sur Z-Library

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1

Rotational Spectrum of Sarin

A.R.Hight Walker, R.D. Suenram, Alan Samuels, James Jensen, Michael W. Ellzy, J.Michael Lochner, Daniel Zeroka

Journal:

Journal of Molecular Spectroscopy

Année:

2001

Langue:

english

Fichier:

PDF, 192 KB

english, 2001

2

Infrared spectra of some isotopomers of isopropylamine: A theoretical study

Daniel Zeroka, James O. Jensen, Alan C. Samuels

Journal:

International Journal of Quantum Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 338 KB

english, 1999

3

Raman Spectroscopy of Rhombohedral P4O10.

Sean J. Gilliam, Scott J. Kirkby, Clifton N. Merrow, Daniel Zeroka, Ajit Banerjee, James O. Jensen

Journal:

Année:

2003

Fichier:

PDF, 53 KB

2003

4

Evaluation of one-electron integrals for arbitrary operators V(r) over Cartesian Gaussians: Application to inverse-square distance and Yukawa operators

James O. Jensen, Arthur H. Carrieri, Constantine P. Vlahacos, Daniel Zeroka, Hendrik F. Hameka, Clifton N. Merrow

Journal:

Journal of Computational Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 705 KB

english, 1993

5

Note on the correlation of the K-shell electron binding energy chemical shifts with NMR chemical shifts

Journal:

Chemical Physics Letters

Année:

1972

Langue:

english

Fichier:

PDF, 271 KB

english, 1972

6

A variational principle for weak stimulated absorptions with energy minimizing fields

John A. Texter, Daniel Zeroka

Journal:

Chemical Physics Letters

Année:

1973

Langue:

english

Fichier:

PDF, 327 KB

english, 1973

7

A theoretical study of P4O10: vibrational analysis, infrared and Raman spectra

James O. Jensen, Ajit Banerjee, Daniel Zeroka, Clifton N. Merrow, Sean J. Gilliam, Scott J. Kirkby

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2004

Langue:

english

Fichier:

PDF, 430 KB

english, 2004

8

Infrared spectra prediction and potential energy surface studies of methylarsine and methylstibine

Hae-Won Kim, Mitalben K. Patel, Daniel Zeroka

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2009

Langue:

english

Fichier:

PDF, 562 KB

english, 2009

9

A theoretical study of As4O6: vibrational analysis, infrared and Raman spectra

James O Jensen, Sean J Gilliam, Ajit Banerjee, Daniel Zeroka, Scott J Kirkby, Clifton N Merrow

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2003

Langue:

english

Fichier:

PDF, 342 KB

english, 2003

10

Trans-ethylphosphine and selected deuterated isotopomers: prediction of infrared spectra and potential energy distribution determination

Hae-Won Kim, Daniel Zeroka

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2005

Langue:

english

Fichier:

PDF, 224 KB

english, 2005

11

Raman spectroscopy of arsenolite: crystalline cubic As4O6

Sean J. Gilliam, Clifton N. Merrow, Scott J. Kirkby, James O. Jensen, Daniel Zeroka, Ajit Banerjee

Journal:

Journal of Solid State Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 305 KB

english, 2003

12

Vibrational frequencies and structural determinations of 1,4-thioxane

Michael W. Ellzy, James O. Jensen, Hendrik F. Hameka, Jack G. Kay, Daniel Zeroka

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2001

Langue:

english

Fichier:

PDF, 267 KB

english, 2001

13

A theoretical and experimental study of Sb4O6: vibrational analysis, infrared, and Raman spectra

Sean J Gilliam, James O Jensen, Ajit Banerjee, Daniel Zeroka, Scott J Kirkby, Clifton N Merrow

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

2004

Langue:

english

Fichier:

PDF, 307 KB

english, 2004

14

Vibrational frequencies and structural determinations of 1,4-dithiane

Thomas E Rosso, Michael W Ellzy, James O Jensen, Hendrik F Hameka, Daniel Zeroka

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Année:

1998

Langue:

english

Fichier:

PDF, 260 KB

english, 1998

15

Internal-rotation and inversion potential energy surfaces for methylamine and methylphosphine

Hae-Won Kim, Daniel Zeroka

Journal:

International Journal of Quantum Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 260 KB

english, 2008

16

Theoretical studies of diamagnetic properties of the hydrogen molecule ion II. Effect of varying internuclear separation

Thomas B. Garrett, Daniel Zeroka

Journal:

International Journal of Quantum Chemistry

Année:

1972

Langue:

english

Fichier:

PDF, 276 KB

english, 1972

17

Theoretical studies of diamagnetic properties of the hydrogen molecule ion. I. Approximate variation-perturbation calculation

Thomas B. Garrett, Daniel Zeroka

Journal:

International Journal of Quantum Chemistry

Année:

1972

Langue:

english

Fichier:

PDF, 431 KB

english, 1972

18

Errata

Thomas B. Garrett, Daniel Zeroka, Paul McGuire, David A. Micha

Journal:

International Journal of Quantum Chemistry

Année:

1973

Langue:

english

Fichier:

PDF, 79 KB

english, 1973

19

Variation of the polarizability of the hydrogen molecule ion and the hydrogen molecule with internuclear separation

Journal:

International Journal of Quantum Chemistry

Année:

1974

Langue:

english

Fichier:

PDF, 212 KB

english, 1974

20

Adsorption of Methyl or Methoxy Species on Ni(110)

Journal:

Topics in Catalysis

Année:

2002

Langue:

english

Fichier:

PDF, 273 KB

english, 2002

21

A theoretical study of P4O6: vibrational analysis and infrared and Raman spectra

J.O Jensen, A Banerjee, C.N Merrow, D Zeroka, J Michael Lochner

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2000

Langue:

english

Fichier:

PDF, 366 KB

english, 2000

22

A theoretical study of methylphosphine CH3PH2 and selected isotopomers: vibrational analysis and infrared spectra

Hae-Won Kim, Daniel Zeroka

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2001

Langue:

english

Fichier:

PDF, 203 KB

english, 2001

23

Infrared spectra of some isotopomers of methylamine and the methylammonium ion: a theoretical study

Daniel Zeroka, James O. Jensen

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1998

Langue:

english

Fichier:

PDF, 853 KB

english, 1998

24

Infrared spectra of some isotopomers of ethylamine and the ethylammonium ion: a theoretical study

Daniel Zeroka, James O. Jensen, Alan C. Samuels

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1999

Langue:

english

Fichier:

PDF, 311 KB

english, 1999

25

Theoretical studies of the infrared and Raman spectra of P4S10

J.O. Jensen, D. Zeroka

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1999

Langue:

english

Fichier:

PDF, 188 KB

english, 1999

26

Theoretical studies of the infrared and Raman spectra of P4S3 and P4S7

J.O. Jensen, D. Zeroka, A. Banerjee

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2000

Langue:

english

Fichier:

PDF, 184 KB

english, 2000

27

Two center one electron molecular integrals of a certain type

Journal:

The Journal of Chemical Physics

Année:

1978

Langue:

english

Fichier:

PDF, 424 KB

english, 1978

28

Physical and Chemical Properties of Recycled Tire Shreds for Use in Construction

Moo-Young, Horace, Sellasie, Kassahun, Zeroka, Daniel, Sabnis, Gajanan

Journal:

Journal of Environmental Engineering

Année:

2003

Langue:

english

Fichier:

PDF, 132 KB

english, 2003

29

Adsorption of methoxy on copper(100)

Zeroka, Daniel., Hoffmann, Roald.

Journal:

Année:

1986

Langue:

english

Fichier:

PDF, 673 KB

english, 1986

30

Rotation/Inversion Study of the Amino Group in Ethylamine

Zeroka, Daniel, Jensen, James O., Samuels, Alan C.

Journal:

Journal of Physical Chemistry A

Année:

1998

Langue:

english

Fichier:

PDF, 137 KB

english, 1998

31

Quantum chemistry (Brown, D. A.)

Journal:

Journal of Chemical Education

Année:

1976

Langue:

english

Fichier:

PDF, 1.56 MB

english, 1976

32

Reduced Density Matrices in Quantum Chemistry (Davidson, Ernest Roy)

Journal:

Journal of Chemical Education

Année:

1977

Langue:

english

Fichier:

PDF, 3.13 MB

english, 1977

33

Diamagnetism of atoms and molecules with unpaired electrons

Zeroka, Daniel., Garrett, Thomas B.

Journal:

Journal of the American Chemical Society

Année:

1968

Langue:

english

Fichier:

PDF, 186 KB

english, 1968

34

Raman Spectroscopy of Rhombohedral P 4 O 10

Gilliam, Sean J., Kirkby, Scott J., Merrow, Clifton N., Zeroka, Daniel, Banerjee, Ajit, Jensen, James O.

Journal:

Journal of Physical Chemistry B

Année:

2003

Langue:

english

Fichier:

PDF, 128 KB

english, 2003

35

INFRARED SPECTRA OF TWO ISOTOPOMERS OF ISOPROPYLPHOSPHINE: A THEORETICAL STUDY

Zeroka, Daniel, Jensen, James O.

Journal:

Phosphorus Sulfur and Silicon and the Related Elements

Année:

1998

Langue:

english

Fichier:

PDF, 661 KB

english, 1998

36

The molecular structure of hydrogen disulfide (H2S2) and barriers to internal rotation

Dixon, David A., Zeroka, Daniel J., Wendoloski, John J., Wasserman, Zelda R.

Journal:

Journal of Physical Chemistry

Année:

1985

Langue:

english

Fichier:

PDF, 413 KB

english, 1985

37

Calculation of the vibrational dependence of the electric field gradient in HD

Kim, Hae-Won, Hameka, Hendrik F., Zeroka, Daniel

Journal:

The Journal of Chemical Physics

Année:

1988

Langue:

english

Fichier:

PDF, 545 KB

english, 1988

38

Calculation of the deuterium electric field gradient in LiD

Pietrovito, Anthony J., Hameka, Hendrik F., Zeroka, Daniel

Journal:

The Journal of Chemical Physics

Année:

1984

Langue:

english

Fichier:

PDF, 621 KB

english, 1984

39

Calculation of Magnetic Shielding Constants of Diatomic Molecules. I. General Theory and Application to HF Molecule

Zeroka, Daniel, Hameka, Hendrik F.

Journal:

The Journal of Chemical Physics

Année:

1966

Langue:

english

Fichier:

PDF, 911 KB

english, 1966

40

Calculation of the deuterium electric field gradient in DF

Kim, Hae-Won, Hameka, Hendrik F., Zeroka, Daniel

Journal:

The Journal of Chemical Physics

Année:

1986

Langue:

english

Fichier:

PDF, 622 KB

english, 1986

41

Variation of diamagnetic properties of the hydrogen molecule with internuclear separation

Journal:

The Journal of Chemical Physics

Année:

1973

Langue:

english

Fichier:

PDF, 632 KB

english, 1973

42

Erratum: Calculation of magnetic shielding constants of diatomic molecules. I. General theory and application to HF molecule

Zeroka, Daniel, Hameka, Hendrik F.

Journal:

The Journal of Chemical Physics

Année:

1973

Langue:

english

Fichier:

PDF, 187 KB

english, 1973

43

ChemInform Abstract: Molecular Structure of H 2 S 2 and Barriers to Internal Rotation

DIXON, D. A., ZEROKA, D., WENDOLOSKI, J. J., WASSERMAN, Z. R.

Journal:

Chemischer Informationsdienst

Année:

1986

Fichier:

PDF, 119 KB

1986