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Max Wolfsberg - Publications

Affiliations: 
University of California, Irvine, Irvine, CA 
Area:
Theoretical Chemistry
Website:
http://www.faculty.uci.edu/profile.cfm?faculty_id=2199
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56 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2007 Saunders M, Wolfsberg M, Anet FA, Kronja O. A steric deuterium isotope effect in 1,1,3,3-tetramethylcyclohexane. Journal of the American Chemical Society. 129: 10276-81. PMID 17655301 DOI: 10.1021/Ja072375R  0.349
2001 Van Hook WA, Rebelo LPN, Wolfsberg M. An interpretation of the vapor phase second virial coefficient isotope effect: Correlation of virial coefficient and vapor pressure isotope effects Journal of Physical Chemistry A. 105: 9284-9297. DOI: 10.1021/Jp004302Z  0.311
2000 Fritzsche S, Haberlandt R, Wolfsberg M. Equilibration of the kinetic energy in small zeolite cavities the thermalization effect of lattice vibrations and of mutual interaction in the diffusion of methane in a cation-free LTA zeolite Chemical Physics. 253: 283-294. DOI: 10.1016/S0301-0104(99)00392-4  0.375
1998 Fritzsche S, Wolfsberg M, Haberlandt R, Demontis P, Suffritti GB, Tilocca A. About the influence of lattice vibrations on the diffusion of methane in a cation-free LTA zeolite Chemical Physics Letters. 296: 253-258. DOI: 10.1016/S0009-2614(98)01060-4  0.332
1995 Fritzsche S, Haberlandt R, Kärger J, Pfeifer H, Heinzinger K, Wolfsberg M. Influence of exchangeable cations on the diffusion of neutral diffusants in zeolites of type LTA. An MD study Chemical Physics Letters. 242: 361-366. DOI: 10.1016/0009-2614(95)00744-O  0.332
1994 Van Hook WA, Wolfsberg M. Comments on H/D Isotope Effects on Polarizabilities of Small Molecules. Correlation with Virial Coefficient, Molar Volume, and Electronic Second Moment Isotope Effects Zeitschrift Fur Naturforschung - Section a Journal of Physical Sciences. 49: 563-577. DOI: 10.1515/Zna-1994-4-508  0.383
1992 Kleinhesselink D, Wolfsberg M. The evaluation of power spectra in molecular dynamics simulations of anharmonic solids and surfaces Surface Science. 262: 189-207. DOI: 10.1016/0039-6028(92)90471-H  0.312
1991 Spohr E, Wolfsberg M. Computer simulation studies of IR laser excitation of water on a metal surface Surface Science Letters. 253: L395-L401. DOI: 10.1016/0167-2584(91)90366-Y  0.324
1991 Huang M, Wolfsberg M. Variational calculations on ammonia using two symmetrical normal modes International Journal of Quantum Chemistry. 40: 441-450. DOI: 10.1002/Qua.560400841  0.375
1990 Spohr E, Wolfsberg M. Vibrational and rotational excitation in collisions of diatomic molecules with rigid surfaces Chemical Physics Letters. 165: 221-225. DOI: 10.1016/0009-2614(90)85432-C  0.36
1990 Fritzsche S, Haberlandt R, Kaerger J, Pfeifer H, Wolfsberg M. Molecular dynamics consideration of the mutual thermalization of guest molecules in zeolites Chemical Physics Letters. 171: 109-113. DOI: 10.1016/0009-2614(90)80058-L  0.32
1989 Marx D, Kleinhesselink D, Wolfsberg M. A note on some reported C and N isotope effects Journal of the American Chemical Society. 111: 1493-1494. DOI: 10.1021/Ja00186A053  0.506
1989 Saunders M, Laidig KE, Wolfsberg M. Theoretical calculation of equilibrium isotope effects using ab initio force constants: Application to NMR isotopic perturbation studies Journal of the American Chemical Society. 111: 8989-8994.  0.303
1985 Chen CL, Maessen B, Wolfsberg M. Variational calculations of rotational-vibrational energy levels of water The Journal of Chemical Physics. 83: 1795-1807. DOI: 10.1063/1.449368  0.406
1985 Maessen B, Wolfsberg M, Harding LB. A numerical test on the equivalence of intramolecular potential expansions in normal and valence displacement coordinates for water The Journal of Physical Chemistry. 89: 3324-3325. DOI: 10.1021/J100261A033  0.374
1984 Maessen B, Bopp P, McLaughlin DR, Wolfsberg M. An Improved Variational Calculation of the Lower Vibrational Energy Levels of the Ammonia Molecule Zeitschrift FüR Naturforschung A. 39: 1005-1006. DOI: 10.1515/Zna-1984-1017  0.335
1984 Wolfsberg M. A molecular model for dielectric shifts in infrared spectra of pure liquid phases and vapor pressure isotope effects The Journal of Chemical Physics. 80: 3087-3090. DOI: 10.1063/1.447122  0.319
1984 Maessen B, Wolfsberg M. Variational calculation of lower vibrational energy levels of formaldehyde X̃ 1A1 The Journal of Chemical Physics. 80: 4651-4662. DOI: 10.1063/1.446528  0.408
1984 Maessen B, Wolfsberg M. Vibrational calculations on formaldehyde with improved force fields Journal of Physical Chemistry. 88: 6420-6423. DOI: 10.1002/Chin.198516061  0.338
1983 Warner JW, Wolfsberg M. Dielectric effects on the spectra of condensed phases The Journal of Chemical Physics. 78: 1722-1730. DOI: 10.1063/1.444957  0.311
1983 Black JE, Bopp P, Wolfsberg M. The vibrational spectrum of H2O on Si(100) Surface Science. 134: 257-271. DOI: 10.1016/0039-6028(83)90323-0  0.352
1982 Bopp P, McLaughlin DR, Wolfsberg M. Variational Calculation of the Lower Vibrational Energy Levels of the Ammonia Molecule Zeitschrift FüR Naturforschung A. 37: 398-400. DOI: 10.1515/Zna-1982-0417  0.419
1982 Goodson DZ, Sarpal SK, Bopp P, Wolfsberg M. Influence on isotope effect calculations of the method of obtaining force constants from vibrational data Journal of Physical Chemistry. 86: 659-663. DOI: 10.1021/J100394A014  0.36
1981 Black JE, Bopp P, Lützenkirchen K, Wolfsberg M. The calculation of vibrational frequencies of atoms adsorbed on metal surfaces: H, O, and S on Ni(100) and Ni(111) as examples The Journal of Chemical Physics. 76: 6431-6438. DOI: 10.1063/1.443000  0.34
1981 Webster F, Huang MJ, Wolfsberg M. The complete wave equation of a nonlinear polyatomic molecule The Journal of Chemical Physics. 75: 2306-2313. DOI: 10.1063/1.442293  0.304
1981 Bopp P, Wolfsberg M. Comments on a model for isotope effects on Henry's law constants in aqueous solution Journal of Solution Chemistry. 10: 357-361. DOI: 10.1007/Bf00647041  0.343
1979 Harvie CE, Bopp P, Wolfsberg M. Convergence of a perturbation technique for evaluating isotopic partition function ratios The Journal of Chemical Physics. 72: 6349-6362. DOI: 10.1063/1.439159  0.416
1979 Wolfsberg M, Peter EA. The calculation of vibrational mean square amplitudes of molecular internal coordinates by a perturbation theory technique The Journal of Chemical Physics. 70: 5722-5725. DOI: 10.1063/1.437451  0.389
1979 Wolfsberg M. Effect of vibrational anharmonicity on the equilibrium H 2O+D2O=2 HDO The Journal of Chemical Physics. 70: 5322-5323. DOI: 10.1063/1.437333  0.302
1978 Bardo RD, Kleinman LI, Raczkowski AW, Wolfsberg M. The effects of electron correlation on the adiabatic correction and on equilibrium constants for isotopic exchange reactions The Journal of Chemical Physics. 69: 1106-1111. DOI: 10.1063/1.436687  0.387
1978 Bardo RD, Wolfsberg M. The adiabatic correction for nonlinear triatomic molecules: Techniques and calculations The Journal of Chemical Physics. 68: 2686-2695. DOI: 10.1063/1.436104  0.45
1978 Suzukawa HH, Wolfsberg M, Thompson DL. A quasiclassical trajectory study of the energy transfer in CO 2-rare gas systems The Journal of Chemical Physics. 68: 455-472. DOI: 10.1063/1.435776  0.378
1978 Beatty Woodruff S, Wolfsberg M. Calculation of one-electron properties from SCF Xα SW functions for H2O Chemical Physics Letters. 56: 125-129. DOI: 10.1016/0009-2614(78)80202-4  0.333
1977 Suzukawa HH, Wolfsberg M. Further empirical testing of the suitability of a nonrandom integration method for classical trajectory calculations The Journal of Chemical Physics. 68: 1423-1425. DOI: 10.1063/1.435962  0.341
1976 Woodruff SB, Wolfsberg M. Numerical calculation of one-electron properties from SCF-Xα-SW wavefunctions for LiH The Journal of Chemical Physics. 65: 3687-3697. DOI: 10.1063/1.433557  0.395
1976 Bardo RD, Wolfsberg M. A theoretical calculation of the equilibrium constant for the isotopic exchange reaction between water and hydrogen deuteride The Journal of Physical Chemistry. 80: 1068-1071. DOI: 10.1021/J100551A009  0.357
1975 Singh G, Wolfsberg M. The calculation of isotopic partition function ratios by a perturbation theory technique The Journal of Chemical Physics. 62: 4165-4180. DOI: 10.1063/1.430297  0.435
1974 Bardo RD, Wolfsberg M. The nuclear mass dependence of the adiabatic correction to the Born-Oppenheimer approximation The Journal of Chemical Physics. 62: 4555-4558. DOI: 10.1063/1.430363  0.394
1974 Kleinman LI, Wolfsberg M. Shifts in vibrational constants from corrections to the Born-Oppenheimer approximation: Effects on isotopic exchange equilibria The Journal of Chemical Physics. 4749-4754. DOI: 10.1063/1.1680977  0.468
1974 Kleinman LI, Wolfsberg M. Corrections to the Born-Oppenheimer approximation and electronic effects on isotopic exchange equilibria. II The Journal of Chemical Physics. 4740-4748. DOI: 10.1063/1.1680976  0.378
1972 Bron J, Wolfsberg MAX. Effect of vibrational anharmonicity on hydrogen-deuterium exchange equilibria involving ammonia molecules The Journal of Chemical Physics. 57: 2862-2869. DOI: 10.1063/1.1678678  0.451
1970 Suzukawa HH, Thompson DL, Cheng VB, Wolfsberg M. Empirical testing of the suitability of a nonrandom integration method for classical trajectory calculations: Comparisons with Monte Carlo techniques The Journal of Chemical Physics. 4000-4008. DOI: 10.1063/1.1680591  0.334
1970 Wolfsberg M, Massa AA, Pyper JW. Effect of vibrational anharmonicity on the isotopic self-exchange equilibria H2X+D2X=2HDX The Journal of Chemical Physics. 53: 3138-3146. DOI: 10.1063/1.1674461  0.375
1970 Daniel Kelley J, Wolfsberg MAX. Exact classical calculations on collisional energy transfer to diatomic molecules with a rotational and a vibrational degree of freedom The Journal of Chemical Physics. 53: 2956-2966. DOI: 10.1063/1.1674423  0.438
1969 Wolfsberg MAX. Correction to the effect of anharmonicity on isotopic exchange equilibria application to polyatomic molecules The Journal of Chemical Physics. 50: 1484-1486. DOI: 10.1063/1.1671223  0.365
1967 Stern MJ, Wolfsberg M. Comment on the Calculation of ``Temperature‐Independent Factor'' in Isotopic Rate‐Constant Ratios Journal of Chemical Physics. 46: 823-824. DOI: 10.1063/1.1840757  0.337
1967 Kelley JD, Wolfsberg M. Steric factor approach to translational-vibrational energy transfer The Journal of Physical Chemistry. 71: 2373-2375. DOI: 10.1021/J100866A077  0.315
1966 Stern MJ, Wolfsberg M. On the absence of isotope effects in the absence of force constant changes The Journal of Chemical Physics. 45: 2618-2629. DOI: 10.1063/1.1727982  0.304
1966 Stern MJ, Wolfsberg M. Simplified procedure for the theoretical calculation of isotope effects involving large molecules The Journal of Chemical Physics. 45: 4105-4124. DOI: 10.1063/1.1727463  0.382
1966 Kelley JD, Wolfsberg M. Exact Semiclassical Calculations of Translational-Vibrational Energy Transfer Journal of Chemical Physics. 45: 3881-3882. DOI: 10.1063/1.1727420  0.422
1966 Ehrenson S, Wolfsberg M. Dependence of the Vertical Excitation Energy of Benzene on the Size and Force Constant of the Excited State Journal of Chemical Physics. 45: 3879-3881. DOI: 10.1063/1.1727419  0.374
1966 Daniel Kelley J, Wolfsberg M. Comparison of approximate translational-vibrational energy-transfer formulas with exact classical calculations The Journal of Chemical Physics. 44: 324-338. DOI: 10.1063/1.1726464  0.414
1965 Stern MJ, Wolfsberg M. Isotope effects as tools for the elucidation of reaction mechanisms. Predictions from model calculations. Journal of Pharmaceutical Sciences. 54: 849-58. PMID 5847018 DOI: 10.1002/Jps.2600540607  0.301
1963 Wolfsberg M. The Calculation of Zero-Point Energies of Molecules by Perturbation Methods Zeitschrift FüR Naturforschung A. 18: 216-224. DOI: 10.1515/Zna-1963-0219  0.407
1963 Stern MJ, Alexander Van Hook W, Wolfsberg M. 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 The Journal of Chemical Physics. 39: 3179-3196. DOI: 10.1063/1.1734180  0.352
1955 Helmholz L, Brennan H, Wolfsberg M. Spectra and electronic structure of fluorochromate ion, chromyl chloride, and some related compounds The Journal of Chemical Physics. 23: 853-858. DOI: 10.1063/1.1742134  0.68
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