Követés
Rick Muller
Rick Muller
E-mail megerősítve itt: sandia.gov - Kezdőlap
Cím
Hivatkozott rá
Hivatkozott rá
Év
SymPy: symbolic computing in Python
A Meurer, CP Smith, M Paprocki, O Čertík, SB Kirpichev, M Rocklin, ...
PeerJ Computer Science 3, e103, 2017
9622017
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
2822000
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 III
The Journal of chemical physics 122 (1), 014105, 2005
2542005
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
2472004
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
2002004
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
1961995
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
1941998
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
1872001
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
1462002
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
1402003
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
1341996
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
1052004
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
1002006
Enhancement-mode double-top-gated metal-oxide-semiconductor nanostructures with tunable lateral geometry
EP Nordberg, GA Ten Eyck, HL Stalford, RP Muller, RW Young, K Eng, ...
Physical Review B 80 (11), 115331, 2009
962009
A candidate for hydrogen storage: Crystal structures and reaction mechanisms of intermediate phases
JK Kang, SY Kim, YS Han, RP Muller, WA Goddard III
Applied Physics Letters 87 (11), 111904, 2005
922005
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 (2), 203-212, 2001
882001
Roucka, v
A Meurer, CP Smith, M Paprocki, O Certık, SB Kirpichev, M Rocklin, ...
Saboo, A, 2017
842017
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
802002
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
801990
Hydrogenolysis of palladium (II) hydroxide and methoxide pincer complexes
GR Fulmer, RP Muller, RA Kemp, KI Goldberg
Journal of the American Chemical Society 131 (4), 1346-1347, 2009
792009
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