Keith V. Lawler, Ph.D.

2009 Chemistry University of California, Berkeley, Berkeley, CA 
Theoretical Chemistry
"Keith Lawler"
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Martin Head-Gordon grad student 2009 UC Berkeley
 (Advances in generalized valence bond-coupled cluster methods for electronic structure theory.)
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Mast DS, Lawler KV, Childs BC, et al. (2019) An Atomistic Understanding of the Unusual Thermal Behavior of the Molecular Oxide TcO. Inorganic Chemistry
Sharma A, Lawler KV, Wolffis JJ, et al. (2017) Hydrogen uptake on coordinatively unsaturated metal sites in VSB-5 revisited: Strong binding affinity leading to high temperature D2/H2 selectivity. Langmuir : the Acs Journal of Surfaces and Colloids
Lawler KV, Childs BC, Mast DS, et al. (2017) Molecular and Electronic Structures of M2O7 (M = Mn, Tc, Re). Inorganic Chemistry
Lawler KV, Sharma A, Alagappan B, et al. (2016) Assessing zeolite frameworks for noble gas separations through a joint experimental and computational approach Microporous and Mesoporous Materials. 222: 104-112
Lawler KV, Hulvey Z, Forster PM. (2015) On the importance of a precise crystal structure for simulating gas adsorption in nanoporous materials. Physical Chemistry Chemical Physics : Pccp. 17: 18904-7
Haxton DJ, Lawler KV, McCurdy CW. (2015) Qualitative failure of a multiconfiguration method in prolate spheroidal coordinates in calculating dissociative photoionization of H2+ Physical Review a - Atomic, Molecular, and Optical Physics. 91
Haxton DJ, Lawler KV, Rouet FH, et al. (2015) Implementation of fixed-nuclei polyatomic MCTDHF capability and the future with nuclear motion Journal of Physics: Conference Series. 635
Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215
Small DW, Lawler KV, Head-Gordon M. (2014) Coupled Cluster Valence Bond Method: Efficient Computer Implementation and Application to Multiple Bond Dissociations and Strong Correlations in the Acenes. Journal of Chemical Theory and Computation. 10: 2027-40
Small DW, Lawler KV, Head-Gordon M. (2014) Coupled cluster valence bond method: Efficient computer implementation and application to multiple bond dissociations and strong correlations in the acenes Journal of Chemical Theory and Computation. 10: 2027-2040
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