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The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium Oxides
George Schoendorff, Michael W Schmidt, Klaus Ruedenberg, et al.
The Journal of Physical Chemistry. A
|
September 17, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
January 31, 2017
Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 16, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Chemical Physics
|
December 24, 2013
A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functions
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
July 30, 2010
Analysis of bonding patterns in the valence isoelectronic series O(3), S(3), SO(2), and OS(2) in terms of oriented quasi-atomic molecular orbitals
Vassiliki-Alexandra Glezakou, Stephen T Elbert, Sotiris S Xantheas, et al.
The Journal of Chemical Physics
|
July 5, 2012
The dispersion interaction between quantum mechanics and effective fragment potential molecules
Quentin A Smith, Klaus Ruedenberg, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 16, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
November 15, 2017
Identification and Characterization of Molecular Bonding Structures by ab initio Quasi-Atomic Orbital Analyses
Aaron C West, Juan J Duchimaza-Heredia, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon
George Schoendorff, Aaron C West, Michael W Schmidt, et al.
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of 5
Search research articles
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Showing results (31-40 of 43) with videos related to
Sort By:
Page
of 5
The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: II. Bond Analyses of Cerium Oxides
George Schoendorff, Michael W Schmidt, Klaus Ruedenberg, et al.
The Journal of Physical Chemistry. A
|
September 17, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. II. Strongly Correlated MCSCF Wave Functions
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
January 31, 2017
Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 16, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic, Quasi-Atomic Orbitals. III. The Covalent Bonding Structure of Urea
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Chemical Physics
|
December 24, 2013
A comprehensive analysis of molecule-intrinsic quasi-atomic, bonding, and correlating orbitals. I. Hartree-Fock wave functions
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
July 30, 2010
Analysis of bonding patterns in the valence isoelectronic series O(3), S(3), SO(2), and OS(2) in terms of oriented quasi-atomic molecular orbitals
Vassiliki-Alexandra Glezakou, Stephen T Elbert, Sotiris S Xantheas, et al.
The Journal of Chemical Physics
|
July 5, 2012
The dispersion interaction between quantum mechanics and effective fragment potential molecules
Quentin A Smith, Klaus Ruedenberg, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
September 16, 2015
A Comprehensive Analysis in Terms of Molecule-Intrinsic Quasi-Atomic Orbitals. IV. Bond Breaking and Bond Forming along the Dissociative Reaction Path of Dioxetane
Aaron C West, Michael W Schmidt, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
November 15, 2017
Identification and Characterization of Molecular Bonding Structures by ab initio Quasi-Atomic Orbital Analyses
Aaron C West, Juan J Duchimaza-Heredia, Mark S Gordon, et al.
The Journal of Physical Chemistry. A
|
June 15, 2019
Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon
George Schoendorff, Aaron C West, Michael W Schmidt, et al.
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of 5