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1

Isotope Effects Volume a || Isotope Effects on Dipole Moments, Polarizability, NMR Shielding, and Molar Volume

Wolfsberg, Max, Hook, W. Alexander, Paneth, Piotr, Rebelo, Luís Paulo N.

Year:

2009

Language:

english

File:

PDF, 798 KB

english, 2009

2

Isotope effects on gas phase reaction processes. I. The determination of equilibrium isotope effects by ion cyclotron resonance spectroscopy

Wolf, J. Frederick, Devlin, John L, Taft, Robert W., Wolfsberg, Max, Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1976

Language:

english

File:

PDF, 403 KB

english, 1976

3

Autobiography of Max Wolfsberg

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 68 KB

english, 2009

4

Fractionation of the Carbon Isotopes in Decarboxylation Reactions. VI. Comparison of the Intermolecular Isotope Effects of a Pair of Isotopic Isomers

Bigeleisen, Jacob, Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1953

Language:

english

File:

PDF, 370 KB

english, 1953

5

Note on a Nitrogen Molecule Calculation

Journal:

The Journal of Chemical Physics

Year:

1953

Language:

english

File:

PDF, 525 KB

english, 1953

6

Comments on H/D Isotope Effects on Polarizabilities of Small Molecules. Correlation with Virial Coefficient, Molar Volume, and Electronic Second Moment Isotope Effects

Van Hook, W. Alexander, Wolfsberg, Max

Journal:

Zeitschrift für Naturforschung A

Year:

1994

Language:

english

File:

PDF, 13.53 MB

english, 1994

7

Isotope effects as tools for the elucidation of reaction mechanisms predictions from model calculations

Marvin J. Stern, Max Wolfsberg

Journal:

Journal of Pharmaceutical Sciences

Year:

1965

Language:

english

File:

PDF, 1.06 MB

english, 1965

8

Application of the MUSIC method for spectral estimation to a model system

Dirk Kleinhesselink, Max Wolfsberg

Journal:

Chemical Physics Letters

Year:

1993

Language:

english

File:

PDF, 858 KB

english, 1993

9

Note on ponderal effects in equilibria

Journal:

Tetrahedron Letters

Year:

1964

Language:

english

File:

PDF, 347 KB

english, 1964

10

Variational calculations on ammonia using two symmetrical normal modes

Ming-Ju Huang, Max Wolfsberg

Journal:

International Journal of Quantum Chemistry

Year:

1991

Language:

english

File:

PDF, 454 KB

english, 1991

11

Calculation of one-electron properties from SCF Xα SW functions for H2O

Susan Beatty Woodruff, Max Wolfsberg

Journal:

Chemical Physics Letters

Year:

1978

Language:

english

File:

PDF, 432 KB

english, 1978

12

Isotope effects on VLE properties of fluids and corresponding states: Critical point shifts on isotopic substitution

W. Alexander Van Hook, Luis Paulo N. Rebelo, Max Wolfsberg

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 757 KB

english, 2007

13

Isotope Effects Volume a || Condensed Phase Isotope Effects; Isotope Effects in Non-ideal Gases

Wolfsberg, Max, Hook, W. Alexander, Paneth, Piotr, Rebelo, Luís Paulo N.

Year:

2009

Language:

english

File:

PDF, 913 KB

english, 2009

14

The evaluation of power spectra in molecular dynamics simulations of anharmonic solids and surfaces

Dirk Kleinhesselink, Max Wolfsberg

Journal:

Surface Science

Year:

1992

Language:

english

File:

PDF, 1.16 MB

english, 1992

15

An Interpretation of the Vapor Phase Second Virial Coefficient Isotope Effect: Correlation of Virial Coefficient and Vapor Pressure Isotope Effects

Van Hook, W. Alexander, Rebelo, Luis Paulo N., Wolfsberg, Max

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 204 KB

english, 2001

16

A theoretical calculation of the equilibrium constant for the isotopic exchange reaction between water and hydrogen deuteride

Bardo, Richard D., Wolfsberg, Max

Journal:

Journal of Physical Chemistry

Year:

1976

Language:

english

File:

PDF, 486 KB

english, 1976

17

The nuclear mass dependence of the adiabatic correction to the Born–Oppenheimer approximation

Bardo, Richard D., Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1975

Language:

english

File:

PDF, 574 KB

english, 1975

18

Effect of vibrational anharmonicity on the equilibrium H2O+D2O=2 HDO

Journal:

The Journal of Chemical Physics

Year:

1979

Language:

english

File:

PDF, 470 KB

english, 1979

19

Effect of Vibrational Anharmonicity on the Isotopic Self-Exchange Equilibria H2X+D2X=2HDX

Journal:

The Journal of Chemical Physics

Year:

1970

Language:

english

File:

PDF, 649 KB

english, 1970

20

The adiabatic correction for nonlinear triatomic molecules: Techniques and calculations

Bardo, Richard D., Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 1.06 MB

english, 1978

21

The wave equation of a nonlinear triatomic molecule and the adiabatic correction to the Born–Oppenheimer approximation

Bardo, Richard D., Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1977

Language:

english

File:

PDF, 1.07 MB

english, 1977

22

The Spectra and Electronic Structure of the Tetrahedral Ions MnO4−, CrO4−−, and ClO4−

Wolfsberg, Max, Helmholz, Lindsay

Journal:

The Journal of Chemical Physics

Year:

1952

Language:

english

File:

PDF, 824 KB

english, 1952

23

Tunneling in the automerization of cyclobutadiene

Huang, Ming Ju, Wolfsberg, Max

Journal:

Journal of the American Chemical Society

Year:

1984

Language:

english

File:

PDF, 311 KB

english, 1984

24

Variational calculations of rotational-vibrational energy levels of formaldehyde ~X 1A1

Maessen, Baerbel, Wolfsberg, Max

Journal:

Journal of Physical Chemistry

Year:

1985

Language:

english

File:

PDF, 507 KB

english, 1985

25

Cycloaddition of acrylonitrile to allene: computed reaction path (AM1) and intramolecular secondary isotope effect

Halevi, E. Amitai, Wolfsberg, Max

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1993

Language:

english

File:

PDF, 561 KB

english, 1993

26

Isotope Effects ||

Wolfsberg, Max, Hook, W. Alexander, Paneth, Piotr, Rebelo, Luís Paulo N.

Year:

2009

Language:

english

File:

PDF, 11.64 MB

english, 2009

27

Theoretical evaluation of experimentally observed isotope effects

Journal:

Accounts of Chemical Research

Year:

1972

Language:

english

File:

PDF, 1.14 MB

english, 1972

28

A Steric Deuterium Isotope Effect in 1,1,3,3-Tetramethylcyclohexane

Saunders, Martin, Wolfsberg, Max, Anet, Frank A. L., Kronja, Olga

Journal:

Journal of the American Chemical Society

Year:

2007

Language:

english

File:

PDF, 158 KB

english, 2007

29

Advances in Chemical Physics. Volume III.

Journal:

Journal of the American Chemical Society

Year:

1961

Language:

english

File:

PDF, 166 KB

english, 1961

30

Temperature Dependence of the Carbon Isotope Effect in the Dehydration of Formic Acid by Concentrated Sulfuric Acid

Bigeleisen, Jacob., Haschemeyer, Rudy H., Wolfsberg, Max., Yankwich, Peter E.

Journal:

Journal of the American Chemical Society

Year:

1962

Language:

english

File:

PDF, 377 KB

english, 1962

31

Isotope Effects on Reaction Rates.

Journal:

Journal of the American Chemical Society

Year:

1961

Language:

english

File:

PDF, 170 KB

english, 1961

32

Solvolytic .alpha.-deuterium effects for different leaving groups

Shiner, Vernon J., Rapp, M. W., Halevi, Emil A., Wolfsberg, Max.

Journal:

Journal of the American Chemical Society

Year:

1968

Language:

english

File:

PDF, 299 KB

english, 1968

33

Theoretical calculation of equilibrium isotope effects using ab initio force constants: application to NMR isotope perturbation studies

Saunders, Martin, Laidig, Keith E., Wolfsberg, Max

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 742 KB

english, 1989

34

A note on some reported carbon and nitrogen isotope effects

Marx, Dominik, Kleinhesselink, Dirk, Wolfsberg, Max

Journal:

Journal of the American Chemical Society

Year:

1989

Language:

english

File:

PDF, 304 KB

english, 1989

35

The calculation of isotopic partition functions ratios by a perturbation theory technique. 2. Dissection of the isotope effect

Skaron, Stephen A., Wolfsberg, Max

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 1.00 MB

english, 1977

36

Transient Structures and Kinetics of the Ferrioxalate Redox Reaction Studied by Time-Resolved EXAFS, Optical Spectroscopy, and DFT †

Chen, Jie, Zhang, Hua, Tomov, Ivan V., Wolfsberg, Max, Ding, Xunliang, Rentzepis, Peter M.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 238 KB

english, 2007

37

Direct calculation of equilibrium constants for isotopic exchange reactions by ab initio molecular orbital theory

Hout, Robert F., Wolfsberg, Max, Hehre, Warren J.

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 381 KB

english, 1980

38

Competitive Reaction Rates of Hydrogen Atoms with HCl and Cl2. Entropy Considerations of the HCl2 Transition State

Klein, Fritz S., Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1961

Language:

english

File:

PDF, 560 KB

english, 1961

39

Approximations to Energy-Level Distributions

Lifshitz, Chava, Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1964

Language:

english

File:

PDF, 368 KB

english, 1964

40

The effects of electron correlation on the adiabatic correction and on equilibrium constants for isotopic exchange reactions

Bardo, R. D., Kleinman, L. I., Raczkowski, A. W., Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 728 KB

english, 1978

41

Correction to the Effect of Anharmonicity on Isotopic Exchange Equilibria—Application to Polyatomic Molecules

Journal:

The Journal of Chemical Physics

Year:

1969

Language:

english

File:

PDF, 481 KB

english, 1969

42

Isotope Effects on Internal Frequencies in the Condensed Phase Resulting from Interactions with the Hindered Translations and Rotations. The Vapor Pressures of the Isotopic Ethylenes

Stern, Marvin J., Van Hook, W. Alexander, Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1963

Language:

english

File:

PDF, 1.44 MB

english, 1963

43

Orbital Electron Excitation Associated with Electron Capture in

Journal:

Physical Review (Series I)

Year:

1954

Language:

english

File:

PDF, 459 KB

english, 1954

44

Multiple Electron Excitation in Auger Processes

Wolfsberg, Max, Perlman, Morris L.

Journal:

Physical Review (Series I)

Year:

1955

Language:

english

File:

PDF, 590 KB

english, 1955

45

Further empirical testing of the suitability of a nonrandom integration method for classical trajectory calculations

Suzukawa, Henry H., Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1978

Language:

english

File:

PDF, 413 KB

english, 1978

46

Variational calculations of rotational–vibrational energy levels of water

Chen, Cheng-Lung, Maessen, Bärbel, Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 1.01 MB

english, 1985

47

A molecular model for dielectric shifts in infrared spectra of pure liquid phases and vapor pressure isotope effects

Journal:

The Journal of Chemical Physics

Year:

1984

Language:

english

File:

PDF, 569 KB

english, 1984

48

Note on Secondary Isotope Effects in Reaction Rates

Journal:

The Journal of Chemical Physics

Year:

1960

Language:

english

File:

PDF, 581 KB

english, 1960

49

Theoretical Considerations on Carbon Isotope Effects in the Decarboxylation of Malonic Acid

Stern, Marvin J., Wolfsberg, Max

Journal:

The Journal of Chemical Physics

Year:

1963

Language:

english

File:

PDF, 394 KB

english, 1963

50

Rate Constants for the Unimolecular Decomposition of Excited Molecular Species Near Threshold

Journal:

The Journal of Chemical Physics

Year:

1962

Language:

english

File:

PDF, 732 KB

english, 1962