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Robert W. Molt, Ph.D. - Publications

Affiliations: 
2013 Chemistry University of Florida, Gainesville, Gainesville, FL, United States 
Area:
General Chemistry, Quantum Physics
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11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Jin Y, Molt RW, Pellegrini E. A GAP-GTPase-GDP-Pi Intermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 31038818 DOI: 10.1002/Chem.201901627  0.374
2017 Singh I, Kim MJ, Molt RW, Hoshika S, Benner SA, Georgiadis MM. Structure and Biophysics for a Six Letter DNA Alphabet that Includes Imidazo[1,2-a]-1,3,5-triazine-2(8H)-4(3H)-dione (X) and 2,4-Diaminopyrimidine (K). Acs Synthetic Biology. PMID 28752992 DOI: 10.1021/Acssynbio.7B00150  0.31
2016 Molt RW, Watson T, Bazanté AP, Bartlett RJ, Richards NG. Gas phase RDX decomposition pathways using coupled cluster theory. Physical Chemistry Chemical Physics : Pccp. 18: 26069-26077. PMID 27711737 DOI: 10.1039/C6Cp05121A  0.663
2016 Jin Y, Molt RW, Waltho JP, Richards NG, Blackburn GM. (19)F NMR and DFT Analysis Reveal Structural and Electronic Transition State Features for RhoA-Catalyzed GTP Hydrolysis. Angewandte Chemie (International Ed. in English). 55: 3318-22. PMID 26822702 DOI: 10.1002/Anie.201509477  0.345
2015 Molt RW, Lecher AM, Clark T, Bartlett RJ, Richards NG. Facile C(sp(2))-C(sp(2)) bond cleavage in oxalic acid-derived radicals. Journal of the American Chemical Society. 137: 3248-52. PMID 25702589 DOI: 10.1021/Ja510666R  0.509
2015 Byrd JN, Jindal N, Molt RW, Bartlett RJ, Sanders BA, Lotrich VF. Molecular cluster perturbation theory. I. Formalism Molecular Physics. DOI: 10.1080/00268976.2015.1036145  0.723
2014 Perera A, Molt RW, Lotrich VF, Bartlett RJ. Singlet-triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods Theoretical Chemistry Accounts. 133. DOI: 10.1007/S00214-014-1514-5  0.54
2013 Molt RW, Watson T, Bazanté AP, Bartlett RJ. The great diversity of HMX conformers: probing the potential energy surface using CCSD(T). The Journal of Physical Chemistry. A. 117: 3467-74. PMID 23477630 DOI: 10.1021/Jp311073M  0.673
2013 Molt RW, Bazanté A, Watson T, Bartlett RJ. Pragmatic ab initio prediction of enthalpies of formation for large molecules: accuracy of MP2 geometries and frequencies using CCSD(T) correlation energies. Journal of Molecular Modeling. 19: 2821-4. PMID 23179766 DOI: 10.1007/S00894-012-1663-1  0.579
2012 Molt RW, Bartlett RJ, Watson T, Bazanté AP. Conformers of CL-20 explosive and ab initio refinement using perturbation theory: implications to detonation mechanisms. The Journal of Physical Chemistry. A. 116: 12129-35. PMID 23136867 DOI: 10.1021/Jp305443H  0.656
2011 Molt RW, Watson T, Lotrich VF, Bartlett RJ. RDX geometries, excited states, and revised energy ordering of conformers via MP2 and CCSD(T) methodologies: insights into decomposition mechanism. The Journal of Physical Chemistry. A. 115: 884-90. PMID 21210658 DOI: 10.1021/Jp109695V  0.649
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