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Journal of Chemical Theory and Computation
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December 1, 2015
Benchmark of Electronically Excited States for Semiempirical Methods: MNDO, AM1, PM3, OM1, OM2, OM3, INDO/S, and INDO/S2
Mario R Silva-Junior, Walter Thiel
The Journal of Physical Chemistry. B
|
November 7, 2009
Influence of the LOV domain on low-lying excited states of flavin: a combined quantum-mechanics/molecular-mechanics investigation
Susanne Salzmann, Mario R Silva-Junior, Walter Thiel, et al.
The Journal of Chemical Physics
|
November 9, 2010
Benchmarks of electronically excited states: basis set effects on CASPT2 results
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3
Stephan P A Sauer, Marko Schreiber, Mario R Silva-Junior, et al.
The Journal of Chemical Physics
|
December 3, 2008
Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
The Journal of Chemical Physics
|
April 10, 2008
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
Marko Schreiber, Mario R Silva-Junior, Stephan P A Sauer, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
December 1, 2015
Benchmark of Electronically Excited States for Semiempirical Methods: MNDO, AM1, PM3, OM1, OM2, OM3, INDO/S, and INDO/S2
Mario R Silva-Junior, Walter Thiel
The Journal of Physical Chemistry. B
|
November 7, 2009
Influence of the LOV domain on low-lying excited states of flavin: a combined quantum-mechanics/molecular-mechanics investigation
Susanne Salzmann, Mario R Silva-Junior, Walter Thiel, et al.
The Journal of Chemical Physics
|
November 9, 2010
Benchmarks of electronically excited states: basis set effects on CASPT2 results
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3
Stephan P A Sauer, Marko Schreiber, Mario R Silva-Junior, et al.
The Journal of Chemical Physics
|
December 3, 2008
Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction
Mario R Silva-Junior, Marko Schreiber, Stephan P A Sauer, et al.
The Journal of Chemical Physics
|
April 10, 2008
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
Marko Schreiber, Mario R Silva-Junior, Stephan P A Sauer, et al.
Page
of 1