Michael Marshall
Michael Marshall
Verified email at gatech.edu
Title
Cited by
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
3292010
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
2612011
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
1262014
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
1262011
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
1262009
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
1202009
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
542014
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
532011
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
512016
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
512014
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
442017
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
412011
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
402015
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
142010
Build sequences for mechanosynthesis
DG Allis, J Barton, M Drew, RA Freitas, A Hill, MR Kennedy, RC Merkle, ...
US Patent 10,197,597, 2019
22019
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
2019
Systems and Methods for Mechanosynthesis
RC Merkle, RA Freitas, J Barton, A Hill, M Drew, D Allis, T Takatani, ...
US Patent App. 16/325,241, 2019
2019
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
2018
The construction and role of non-covalent benchmarks in computational chemistry
MS Marshall
Georgia Institute of Technology, 2012
2012
Estimation of error in energy functions for large molecular systems
JC Faver, ML Benson, X He, BP Roberts, B Wang, MS Marshall, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
2011
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Articles 1–20