Rick Muller
Rick Muller
Verifierad e-postadress på sandia.gov - Startsida
Titel
Citeras av
Citeras av
År
SymPy: symbolic computing in Python
A Meurer, CP Smith, M Paprocki, O Čertík, SB Kirpichev, M Rocklin, ...
PeerJ Computer Science 3, e103, 2017
6082017
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
2552000
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
2472005
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
2452004
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
1942004
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
1941995
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
1901998
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
1722001
The gas phase reaction of singlet dioxygen with water: A water-catalyzed mechanism
X Xu, RP Muller, WA Goddard
Proceedings of the National Academy of Sciences 99 (6), 3376-3381, 2002
1412002
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
1351996
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
1342003
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
1012004
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
962006
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
932009
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
862005
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
792001
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
761990
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
732002
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
722009
Copolymerization studies of vinyl chloride and vinyl acetate with ethylene using a transition-metal catalyst
HW Boone, PS Athey, MJ Mullins, D Philipp, R Muller, WA Goddard
Journal of the American Chemical Society 124 (30), 8790-8791, 2002
692002
Systemet kan inte utföra åtgärden just nu. Försök igen senare.
Artiklar 1–20