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Chemistryopen
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February 20, 2014
Benchmark study of the performance of density functional theory for bond activations with (ni,pd)-based transition-metal catalysts
Marc Steinmetz, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2015
A computationally efficient double hybrid density functional based on the random phase approximation
Stefan Grimme, Marc Steinmetz
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2013
Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase
Stefan Grimme, Marc Steinmetz
The Journal of Organic Chemistry
|
February 9, 2007
How to compute isomerization energies of organic molecules with quantum chemical methods
Stefan Grimme, Marc Steinmetz, Martin Korth
Journal of Computational Chemistry
|
June 17, 2014
Implementation of nuclear gradients of range-separated hybrid density functionals and benchmarking on rotational constants for organic molecules
Tobias Risthaus, Marc Steinmetz, Stefan Grimme
Journal of Chemical Theory and Computation
|
November 20, 2015
Modeling Transition Metal Reactions with Range-Separated Functionals
Michael Seth, Tom Ziegler, Marc Steinmetz, et al.
Journal of Chemical Theory and Computation
|
March 23, 2018
Comprehensive Thermochemical Benchmark Set of Realistic Closed-Shell Metal Organic Reactions
Sebastian Dohm, Andreas Hansen, Marc Steinmetz, et al.
Chemistry, an Asian Journal
|
February 16, 2012
Mechanistic studies on the Pd-catalyzed direct C-H arylation of 2-substituted thiophene derivatives with arylpalladium bipyridyl complexes
Marc Steinmetz, Kirika Ueda, Stefan Grimme, et al.
Inorganic Chemistry
|
August 5, 2014
Spin crossover in Fe(II) and Co(II) complexes with the same click-derived tripodal ligand
David Schweinfurth, Serhiy Demeshko, Stephan Hohloch, et al.
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Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Chemistryopen
|
February 20, 2014
Benchmark study of the performance of density functional theory for bond activations with (ni,pd)-based transition-metal catalysts
Marc Steinmetz, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2015
A computationally efficient double hybrid density functional based on the random phase approximation
Stefan Grimme, Marc Steinmetz
Physical Chemistry Chemical Physics : PCCP
|
August 22, 2013
Effects of London dispersion correction in density functional theory on the structures of organic molecules in the gas phase
Stefan Grimme, Marc Steinmetz
The Journal of Organic Chemistry
|
February 9, 2007
How to compute isomerization energies of organic molecules with quantum chemical methods
Stefan Grimme, Marc Steinmetz, Martin Korth
Journal of Computational Chemistry
|
June 17, 2014
Implementation of nuclear gradients of range-separated hybrid density functionals and benchmarking on rotational constants for organic molecules
Tobias Risthaus, Marc Steinmetz, Stefan Grimme
Journal of Chemical Theory and Computation
|
November 20, 2015
Modeling Transition Metal Reactions with Range-Separated Functionals
Michael Seth, Tom Ziegler, Marc Steinmetz, et al.
Journal of Chemical Theory and Computation
|
March 23, 2018
Comprehensive Thermochemical Benchmark Set of Realistic Closed-Shell Metal Organic Reactions
Sebastian Dohm, Andreas Hansen, Marc Steinmetz, et al.
Chemistry, an Asian Journal
|
February 16, 2012
Mechanistic studies on the Pd-catalyzed direct C-H arylation of 2-substituted thiophene derivatives with arylpalladium bipyridyl complexes
Marc Steinmetz, Kirika Ueda, Stefan Grimme, et al.
Inorganic Chemistry
|
August 5, 2014
Spin crossover in Fe(II) and Co(II) complexes with the same click-derived tripodal ligand
David Schweinfurth, Serhiy Demeshko, Stephan Hohloch, et al.
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of 1