Rick Muller

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William A Goddard IIIProfessor Chemistry, Materials Science, Applied PhysicsCorreu electrònic verificat a caltech.edu
Malcolm CarrollInternational Business MachinesCorreu electrònic verificat a ibm.com
Inès MontañoNorthern Arizona UniversityCorreu electrònic verificat a nau.edu
Rajib RahmanProfessor of Physics, University of New South WalesCorreu electrònic verificat a unsw.edu.au
Andrew G. SalingerSandia National LaboratoriesCorreu electrònic verificat a sandia.gov
Siddharth DasguptaManaging Director, NSF Center for Chemical Innovation: Solar Fuels, CaltechCorreu electrònic verificat a caltech.edu
MP LillySandia National LaboratoriesCorreu electrònic verificat a sandia.gov
Peter A. SchultzSandia National LaboratoriesCorreu electrònic verificat a sandia.gov
Andrew BaczewskiSandia National LaboratoriesCorreu electrònic verificat a sandia.gov
Irina Tezaur (f.k.a. Irina Kalashnikova)Distinguished Member of Technical Staff, Quantitative Modeling & Analysis DepartmentCorreu electrònic verificat a sandia.gov
Ezra BussmannSandia National LaboratoriesCorreu electrònic verificat a sandia.gov
Shashank MisraSandia National LaboratoriesCorreu electrònic verificat a sandia.gov
Jonathan MoussaSoftware Scientist, Molecular Sciences Software InstituteCorreu electrònic verificat a vt.edu
Greg WagnerNorthwestern UniversityCorreu electrònic verificat a northwestern.edu
Xin XuDepartment of Chemistry, Fudan UniveristyCorreu electrònic verificat a fudan.edu.cn
Gerhard KlimeckProfessor of Electrical and Computer Engineering, Purdue UniversityCorreu electrònic verificat a purdue.edu
Lloyd C. L. HollenbergThomas Baker Chair, School of Physics, University of MelbourneCorreu electrònic verificat a unimelb.edu.au
Nathaniel C BishopIntel CorporationCorreu electrònic verificat a intel.com
Andrew GreentreeRMIT University, Melbourne, AustraliaCorreu electrònic verificat a rmit.edu.au
John GambleIonQCorreu electrònic verificat a ionq.co

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Rick Muller

IARPA

Correu electrònic verificat a iarpa.gov - Pàgina d'inici

QIS AI Quantum Chemistry


Títol Ordena per cites Ordena per any Ordena per títol	Citada per Citada per	Any
SymPy: symbolic computing in Python A Meurer, CP Smith, M Paprocki, O Čertík, SB Kirpichev, M Rocklin, ... PeerJ Computer Science 3, e103, 2017	1771	2017
The mechanism for unimolecular decomposition of RDX (1, 3, 5-trinitro-1, 3, 5-triazine), an ab initio study D Chakraborty, RP Muller, S Dasgupta, WA Goddard The Journal of Physical Chemistry A 104 (11), 2261-2272, 2000	305	2000
An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems X Xu, Q Zhang, RP Muller, WA Goddard The Journal of chemical physics 122 (1), 2005	279	2005
Meccano on the nanoscale—A blueprint for making some of the world's tiniest machines AH Flood, RJA Ramirez, WQ Deng, RP Muller, WA Goddard Iii, ... Australian journal of chemistry 57 (4), 301-322, 2004	255	2004
Mechanism of homogeneous Ir (III) catalyzed regioselective arylation of olefins J Oxgaard, RP Muller, WA Goddard, RA Periana Journal of the American Chemical Society 126 (1), 352-363, 2004	221	2004
Mechanism for unimolecular decomposition of HMX (1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine), an ab initio study D Chakraborty, RP Muller, S Dasgupta, WA Goddard The Journal of Physical Chemistry A 105 (8), 1302-1314, 2001	210	2001
Hybrid ab initio quantum mechanics/molecular mechanics calculations of free energy surfaces for enzymatic reactions: the nucleophilic attack in subtilisin J Bentzien, RP Muller, J Florián, A Warshel The Journal of Physical Chemistry B 102 (12), 2293-2301, 1998	208	1998
Ab initio calculations of free energy barriers for chemical reactions in solution RP Muller, A Warshel The Journal of Physical Chemistry 99 (49), 17516-17524, 1995	207	1995
The gas phase reaction of singlet dioxygen with water: A water-catalyzed mechanism X Xu, RP Muller, WA Goddard III Proceedings of the National Academy of Sciences 99 (6), 3376-3381, 2002	160	2002
Roucka, v A Meurer, CP Smith, M Paprocki, O Certık, SB Kirpichev, M Rocklin, ... Saboo, A, 2017	156	2017
Chemisorption of atomic oxygen on Pt (111) from DFT studies of Pt-clusters T Jacob, RP Muller, WA Goddard The Journal of Physical Chemistry B 107 (35), 9465-9476, 2003	148	2003
Ab initio frozen density functional calculations of proton transfer reactions in solution T Wesolowski, RP Muller, A Warshel The Journal of Physical Chemistry 100 (38), 15444-15449, 1996	136	1996
Mechanism of direct molecular oxygen insertion in a palladium (II)− hydride bond JM Keith, RP Muller, RA Kemp, KI Goldberg, WA Goddard, J Oxgaard Inorganic chemistry 45 (24), 9631-9633, 2006	107	2006
Mechanism of the Stoddart− Heath bistable Rotaxane molecular switch WQ Deng, RP Muller, WA Goddard Journal of the American Chemical Society 126 (42), 13562-13563, 2004	106	2004
A detailed model for the decomposition of nitramines: RDX and HMX D Chakraborty, RP Muller, S Dasgupta, WA Goddard Journal of computer-aided materials design 8, 203-212, 2001	104	2001
Enhancement-mode double-top-gated metal-oxide-semiconductor nanostructures with tunable lateral geometry EP Nordberg, GAT Eyck, HL Stalford, RP Muller, RW Young, K Eng, ... Physical Review B—Condensed Matter and Materials Physics 80 (11), 115331, 2009	103	2009
A candidate LiBH4 for hydrogen storage: Crystal structures and reaction mechanisms of intermediate phases JK Kang, SY Kim, YS Han, RP Muller, WA Goddard Applied Physics Letters 87 (11), 2005	101	2005
Influence of overcharge and over-discharge on the impedance response of LiCoO2\| C batteries S Erol, ME Orazem, RP Muller Journal of power sources 270, 92-100, 2014	91	2014
Computational insights on the challenges for polymerizing polar monomers DM Philipp, RP Muller, WA Goddard, J Storer, M McAdon, M Mullins Journal of the American Chemical Society 124 (34), 10198-10210, 2002	88	2002
Pseudospectral generalized valence‐bond calculations: Application to methylene, ethylene, and silylene JM Langlois, RP Muller, TR Coley, WA Goddard III, MN Ringnalda, Y Won, ... The Journal of Chemical Physics 92 (12), 7488-7497, 1990	88	1990

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