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Michael Marshall
Michael Marshall
Verified email at gatech.edu
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Cited by
Year
Basis set consistent revision of the S22 test set of noncovalent interaction energies
T Takatani, EG Hohenstein, M Malagoli, MS Marshall, CD Sherrill
The Journal of chemical physics 132 (14), 144104, 2010
3552010
Basis set convergence of the coupled-cluster correction, : Best practices for benchmarking non-covalent interactions and the attendant revision of the S22 …
MS Marshall, LA Burns, CD Sherrill
The Journal of chemical physics 135 (19), 194102, 2011
3092011
Comparing counterpoise-corrected, uncorrected, and averaged binding energies for benchmarking noncovalent interactions
LA Burns, MS Marshall, CD Sherrill
Journal of Chemical Theory and Computation 10 (1), 49-57, 2014
1582014
Potential energy curves for cation− π interactions: off-axis configurations are also attractive
MS Marshall, RP Steele, KS Thanthiriwatte, CD Sherrill
The Journal of Physical Chemistry A 113 (48), 13628-13632, 2009
1532009
Formal estimation of errors in computed absolute interaction energies of protein− ligand complexes
JC Faver, ML Benson, X He, BP Roberts, B Wang, MS Marshall, ...
Journal of chemical theory and computation 7 (3), 790-797, 2011
1432011
Assessment of standard force field models against high‐quality ab initio potential curves for prototypes of π–π, CH/π, and SH/π interactions
CD Sherrill, BG Sumpter, MO Sinnokrot, MS Marshall, EG Hohenstein, ...
Journal of computational chemistry 30 (14), 2187-2193, 2009
1322009
The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions
LA Burns, JC Faver, Z Zheng, MS Marshall, DGA Smith, ...
The Journal of chemical physics 147 (16), 161727, 2017
822017
Appointing silver and bronze standards for noncovalent interactions: A comparison of spin-component-scaled (SCS), explicitly correlated (F12), and specialized wavefunction …
LA Burns, MS Marshall, CD Sherrill
The Journal of Chemical Physics 141 (23), 234111, 2014
752014
Accurate ionization potentials and electron affinities of acceptor molecules I. Reference data at the CCSD (T) complete basis set limit
RM Richard, MS Marshall, O Dolgounitcheva, JV Ortiz, JL Bredas, ...
Journal of chemical theory and computation 12 (2), 595-604, 2016
672016
Communication: Resolving the three-body contribution to the lattice energy of crystalline benzene: Benchmark results from coupled-cluster theory
MR Kennedy, AR McDonald, AE DePrince III, MS Marshall, R Podeszwa, ...
The Journal of chemical physics 140 (12), 121104, 2014
622014
The energy computation paradox and ab initio protein folding
JC Faver, ML Benson, X He, BP Roberts, B Wang, MS Marshall, ...
PloS one 6 (4), e18868, 2011
552011
Rubrene: The interplay between intramolecular and intermolecular interactions determines the planarization of its tetracene core in the solid state
C Sutton, MS Marshall, CD Sherrill, C Risko, JL Bredas
Journal of the American Chemical Society 137 (27), 8775-8782, 2015
512015
Dispersion-weighted explicitly correlated coupled-cluster theory [dw-ccsd (t**)-f12]
MS Marshall, CD Sherrill
Journal of Chemical Theory and Computation 7 (12), 3978-3982, 2011
452011
An Error and Efficiency Analysis of Approximations to Mřller− Plesset Perturbation Theory
MS Marshall, JS Sears, LA Burns, JL Brédas, CD Sherrill
Journal of Chemical Theory and Computation 6 (12), 3681-3687, 2010
152010
Build sequences for mechanosynthesis
DG Allis, J Barton, M Drew, RA Freitas, A Hill, MR Kennedy, RC Merkle, ...
US Patent 10,197,597, 2019
72019
Sequential tip systems and methods for positionally controlled chemistry
RC Merkle, RA Freitas, J Barton, A Hill, M Drew, D Allis, T Takatani, ...
US Patent 10,067,160, 2018
32018
Build Sequences for Mechanosynthesis
DG Allis, J Barton, M Drew, RA Freitas, A Hill, MR Kennedy, RC Merkle, ...
US Patent App. 16/385,692, 2019
22019
Systems and methods for mechanosynthesis
RC Merkle, RA Freitas, J Barton, A Hill, M Drew, D Allis, T Takatani, ...
US Patent 10,822,229, 2020
12020
Systems and Methods for Mechanosynthesis
RC Merkle, RA Freitas, J Barton, D Allis, T Takatani, MS Marshall, ...
US Patent App. 17/474,472, 2021
2021
Systems and methods for mechanosynthesis
RC Merkle, RA Freitas, J Barton, A Hill, M Drew, D Allis, T Takatani, ...
US Patent 11,148,944, 2021
2021
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