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Brandon W. Bakr
Brandon W. Bakr
Georgia Institute of Technology
Chemistry
Computational chemistry
Non-covalent interactions
Stereoselectivity
Transition state
5
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90
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Intramolecular Non-covalent Interactions Facilitate Thermally Activated Delayed Fluorescence (TADF)
2019
Journal of Physical Chemistry Letters
Xian-Kai Chen
Brandon W. Bakr
Morgan Auffray
Youichi Tsuchiya
C. David Sherrill
Chihaya Adachi
Jean-Luc Brédas
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Citations (32)
CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelism
2019
Journal of Chemical Physics
Carlos H. Borca
Brandon W. Bakr
Lori A. Burns
C. David Sherrill
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Citations (6)
Analysis of transition state stabilization by non-covalent interactions in organocatalysis: application of atomic and functional-group partitioned symmetry-adapted perturbation theory to the addition of organoboron reagents to fluoroketones
2018
Physical Chemistry Chemical Physics
Brandon W. Bakr
C. David Sherrill
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Citations (9)
Understanding the Many-Body Basis Set Superposition Error: Beyond Boys and Bernardi
2018
Journal of Chemical Theory and Computation
Ryan M. Richard
Brandon W. Bakr
C. David Sherrill
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Citations (24)
Analysis of transition state stabilization by non-covalent interactions in the Houk–List model of organocatalyzed intermolecular Aldol additions using functional-group symmetry-adapted perturbation theory
2016
Physical Chemistry Chemical Physics
Brandon W. Bakr
C. David Sherrill
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Citations (19)
1