Aileen E. Alvarado-Swaisgood

Simulations Plus (United States) — United States

Physics and Astronomy · Physical Sciences

11h-index614citations18works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(10), Spectroscopy and Quantum Chemical Studies(4), Advanced Algebra and Geometry(2), Inorganic and Organometallic Chemistry(2), Catalysis and Oxidation Reactions(2)

Publications18 total

ChemInform Abstract: Heterogeneous Catalysis Looking Forward with Molecular Simulation
ChemInform·1999
Heterogeneous catalysis: looking forward with molecular simulation
Catalysis Today·1999· 25 cited
Integrated NMR and Ab Initio Study of Acetonitrile in Zeolites: A Reactive Complex Model of Zeolite Acidity
Journal of the American Chemical Society·1994· 100 cited
Tunneling microscopy verification of an x-ray scattering-derived molecular model of tyrosine-based melanin
Journal of Vacuum Science & Technology B Microelectronics and Nanometer Structures Processing Measurement and Phenomena·1994· 41 cited
The fundamental unit of synthetic melanin: a verification by tunneling microscopy of X-ray scattering results
Biochimica et Biophysica Acta (BBA) - General Subjects·1994· 192 cited
Ab initio quantum chemical calculations of aluminum substitution in zeolite ZSM-5
The Journal of Physical Chemistry·1991· 97 cited
Bonding of intact molecular hydrogen to chromium(1+) and hydridochromium(1+)
The Journal of Physical Chemistry·1990· 17 cited
ChemInform Abstract: Electronic and Geometric Structure of the Lowest 5ε+ and 5π States of CrCl+
ChemInform·1989
Electronic and geometric structure of the lowest 5.SIGMA.+ and 5.PI. states of chromium monochloride (1+) ion
The Journal of Physical Chemistry·1988· 11 cited
Electronic and geometric structures of the scandium cations: scandium monohydride(1+), methylscandium(1+), methylenescandium(1+), and methylidynescandium(1+)
The Journal of Physical Chemistry·1988· 24 cited
The electronic and geometric structures of the transition-metal carbyne cations ScCH+, TiCH+, VCH+, and CrCH+
The Journal of Physical Chemistry·1986· 22 cited
ChemInform Abstract: Electronic and Geometric Structures of ScH<sup>+</sup> and ScH<sub>2</sub><sup>+</sup>.
Chemischer Informationsdienst·1986
Electronic and geometric structures of acandium hydride cations (ScH+ and ScH2+)
The Journal of Physical Chemistry·1985· 43 cited
Electronic and geometric structures of the chromium cations CrH+, CrCH3+, CrCH2+, and CrCH+
The Journal of Physical Chemistry·1985· 34 cited
ELECTRONIC AND GEOMETRIC STRUCTURE OF $ScH^{+}$ AND $ScH_{2}{^{+}}$
The Knowledge Bank (The Ohio State University)·1985
ELECTRONIC AND GEOMETRIC STRUCTURES OF THE CHROMIUM CATIONS $CrH^{+}, CrCH_{3}{^{+}}$, $CrCH_{2}^{+}$ AND $CrCH^{+}$
The Knowledge Bank (The Ohio State University)·1985
The bonding, dipole moment, and charge distribution in the lowest singlet and triplet states of dilithiomethane (CH2Li2)
The Journal of Physical Chemistry·1985· 8 cited
THE BONDING, CHARGE DISTRIBUTION AND DIPOLE MOMENT OF THE LOW LYING STATES OF $CH_{2}Li_{2}$
The Knowledge Bank (The Ohio State University)·1984

Frequent Co-authors

J. Harrison(12), G. Zając(2), James M. Gallas(2), John Allison(2), Jan Andzelm(2), Frank U. Axe(2), Michael W. Doyle(2), George Fitzgerald(2), C. M. Freeman(2), Alan M. Gorman(2), Jörg‐Rüdiger Hill(2), Christoph Kölmel(2), S. M. Levine(2), Jin Q. Cheng(1), M. Eisner(1), S. C. Moss(1), James F. Haw(1), Michael B. Hall(1), Eric J. Munson(1), Zhenyang Lin(1)