Robert W. Molt, Ph.D.
Affiliations: | 2013 | Chemistry | University of Florida, Gainesville, Gainesville, FL, United States |
Area:
General Chemistry, Quantum PhysicsGoogle:
"Robert Molt"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Rodney J. Bartlett | grad student | 2013 | UF Gainesville | |
| (Nitramine conformers and detonation mechanism via standard coupled cluster and double-electron attached coupled cluster theory.) | ||||
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Publications
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| Jin Y, Molt RW, Pellegrini E. (2019) A GAP-GTPase-GDP-Pi Intermediate Crystal Structure Analyzed by DFT Shows GTP Hydrolysis Involves Serial Proton Transfers. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Singh I, Kim MJ, Molt RW, et al. (2017) 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 |
| Molt RW, Watson T, Bazanté AP, et al. (2016) Gas phase RDX decomposition pathways using coupled cluster theory. Physical Chemistry Chemical Physics : Pccp. 18: 26069-26077 |
| Jin Y, Molt RW, Waltho JP, et al. (2016) (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 |
| Molt RW, Lecher AM, Clark T, et al. (2015) Facile C(sp(2))-C(sp(2)) bond cleavage in oxalic acid-derived radicals. Journal of the American Chemical Society. 137: 3248-52 |
| Byrd JN, Jindal N, Molt RW, et al. (2015) Molecular cluster perturbation theory. I. Formalism Molecular Physics |
| Perera A, Molt RW, Lotrich VF, et al. (2014) Singlet-triplet separations of di-radicals treated by the DEA/DIP-EOM-CCSD methods Theoretical Chemistry Accounts. 133 |
| Molt RW, Watson T, Bazanté AP, et al. (2013) The great diversity of HMX conformers: probing the potential energy surface using CCSD(T). The Journal of Physical Chemistry. A. 117: 3467-74 |
| Molt RW, Bazanté A, Watson T, et al. (2013) 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 |
| Molt RW, Bartlett RJ, Watson T, et al. (2012) 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 |