Anwar G. Baboul

Physics and Astronomy · Physical Sciences

13h-index2.6kcitations22works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(8), Crystallization and Solubility Studies(6), X-ray Diffraction in Crystallography(6), Advanced Battery Materials and Technologies(4), Crystallography and molecular interactions(3)

Publications22 total

CCDC 176480: Experimental Crystal Structure Determination
The Cambridge Structural Database·2002Open Access
CCDC 176481: Experimental Crystal Structure Determination
The Cambridge Structural Database·2002Open Access
CCDC 176479: Experimental Crystal Structure Determination
The Cambridge Structural Database·2002Open Access
CCDC 176478: Experimental Crystal Structure Determination
The Cambridge Structural Database·2002Open Access
CCDC 176477: Experimental Crystal Structure Determination
The Cambridge Structural Database·2002Open Access
CCDC 176482: Experimental Crystal Structure Determination
The Cambridge Structural Database·2002Open Access
Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands:  Synthesis, Structure, and Molecular Orbital Studies
Inorganic Chemistry·2001· 48 cited
Inversion versus Retention of Configuration for Nucleophilic Substitution at Vinylic Carbon
Journal of the American Chemical Society·2001· 29 cited
Gaussian-3 theory using coupled cluster energies
Chemical Physics Letters·1999· 236 cited
Lithium perchlorate ion pairing in a model of amorphous polyethylene oxide
The Journal of Chemical Physics·1999· 32 cited
Li<sup>+</sup>−(Diglyme)<sub>2</sub> and LiClO<sub>4</sub>−Diglyme Complexes:  Barriers to Lithium Ion Migration
Journal of the American Chemical Society·1999· 61 cited
Gaussian-3 theory using density functional geometries and zero-point energies
The Journal of Chemical Physics·1999· 1.7k cited
ChemInform Abstract: Structures and Energetics of Some Potential Intermediates in Titanium Nitride Chemical Vapor Deposition: TiCl<sub>m</sub>(NH<sub>2</sub>)<sub>n</sub>, TiCl<sub>m</sub>(NH<sub>2</sub>)<sub>n</sub>NH, and TiCl<sub>m</sub>(NH<sub>2</sub>)<sub>n</sub>N. An ab initio Molecular Orbital Study.
ChemInform·1998· 2 cited
Computational study on nature of transition structure for oxygen transfer from dioxirane and carbonyloxide
Journal of Computational Chemistry·1998· 34 cited
Density functional and neutron diffraction studies of lithium polymer electrolytes.
University of North Texas Digital Library (University of North Texas)·1998· 11 citedOpen Access
Structures and Energetics of Some Potential Intermediates in Titanium Nitride Chemical Vapor Deposition:  TiCl<i><sub>m</sub></i>(NH<sub>2</sub>)<i><sub>n</sub></i>, TiCl<i><sub>m</sub></i>(NH<sub>2</sub>)<i><sub>n</sub></i>NH, and TiCl<i><sub>m</sub></i>(NH<sub>2</sub>)<i><sub>n</sub></i>N. An ab Initio Molecular Orbital Study
The Journal of Physical Chemistry B·1998· 20 cited
Density Functional and Neutron Studies of Lithium Polymer Electrolytes
ECS Proceedings Volumes·1998Open Access
Improved method for calculating projected frequencies along a reaction path
The Journal of Chemical Physics·1997· 98 cited
Nature of the Transition Structure for Alkene Epoxidation by Peroxyformic Acid, Dioxirane, and Dimethyldioxirane:  A Comparison of B3LYP Density Functional Theory with Higher Computational Levels
The Journal of Physical Chemistry A·1997· 100 cited
Surprising Titanium Complexes Bearing η<sup>2</sup>-Pyrazolato Ligands:  Synthesis, Structure, and Molecular Orbital Studies
Journal of the American Chemical Society·1997· 109 cited
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Frequent Co-authors

H. Bernhard Schlegel(16), Carlos Yélamos(7), K.R. Gust(7), Mary Jane Heeg(5), Larry A. Curtiss(4), Charles H. Winter(4), C.H. Winter(4), Paul C. Redfern(3), Robert D. Bach(3), Krishnan Raghavachari(2), Mikhail N. Glukhovtsev(2), M.J. Heeg(2), John A. Pople(1), Ilia A. Guzei(1), Glenn P. A. Yap(1), Arnold L. Rheingold(1), Carlos González(1), Manuel Márquez(1), Carlos M. Estévez(1), A. Sutjianto(1)