Rick Muller

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William A Goddard IIIProfessor Chemistry, Materials Science, Applied PhysicsAdresă de e-mail confirmată pe caltech.edu
Malcolm CarrollInternational Business MachinesAdresă de e-mail confirmată pe ibm.com
Inès MontañoNorthern Arizona UniversityAdresă de e-mail confirmată pe nau.edu
Rajib RahmanProfessor of Physics, University of New South WalesAdresă de e-mail confirmată pe unsw.edu.au
Andrew G. SalingerSandia National LaboratoriesAdresă de e-mail confirmată pe sandia.gov
Siddharth DasguptaManaging Director, NSF Center for Chemical Innovation: Solar Fuels, CaltechAdresă de e-mail confirmată pe caltech.edu
MP LillySandia National LaboratoriesAdresă de e-mail confirmată pe sandia.gov
Peter A. SchultzSandia National LaboratoriesAdresă de e-mail confirmată pe sandia.gov
Andrew BaczewskiSandia National LaboratoriesAdresă de e-mail confirmată pe sandia.gov
Irina Tezaur (f.k.a. Irina Kalashnikova)Distinguished Member of Technical Staff, Quantitative Modeling & Analysis DepartmentAdresă de e-mail confirmată pe sandia.gov
Ezra BussmannSandia National LaboratoriesAdresă de e-mail confirmată pe sandia.gov
Shashank MisraSandia National LaboratoriesAdresă de e-mail confirmată pe sandia.gov
Jonathan MoussaSoftware Scientist, Molecular Sciences Software InstituteAdresă de e-mail confirmată pe vt.edu
Greg WagnerNorthwestern UniversityAdresă de e-mail confirmată pe northwestern.edu
Xin XuDepartment of Chemistry, Fudan UniveristyAdresă de e-mail confirmată pe fudan.edu.cn
Gerhard KlimeckProfessor of Electrical and Computer Engineering, Purdue UniversityAdresă de e-mail confirmată pe purdue.edu
Lloyd C. L. HollenbergThomas Baker Chair, School of Physics, University of MelbourneAdresă de e-mail confirmată pe unimelb.edu.au
Nathaniel C BishopIntel CorporationAdresă de e-mail confirmată pe intel.com
John GambleIonQAdresă de e-mail confirmată pe ionq.co
Matt J CurryIntelAdresă de e-mail confirmată pe intel.com

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Rick Muller

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QIS AI Quantum Chemistry


Titlu Sortați după descrierea bibliografică Sortați după an Sortați după titlu	Citat de Citat de	Anul
SymPy: symbolic computing in Python A Meurer, CP Smith, M Paprocki, O Čertík, SB Kirpichev, M Rocklin, ... PeerJ Computer Science 3, e103, 2017	1788	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	302	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	261	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
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	209	1998
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	208	2001
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
Roucka, v A Meurer, CP Smith, M Paprocki, O Certık, SB Kirpichev, M Rocklin, ... Saboo, A., Fernando, I., Kulal, S., Cimrman, R., and Scopatz, A, e103, 2017	166	2017
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	159	2002
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	137	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	108	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	105	2004
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 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	103	2001
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	102	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	92	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	90	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	90	1990

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