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Physical Chemistry Chemical Physics : PCCP
|
October 24, 2012
MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme
Kasper Kristensen, Ida-Marie Høyvik, Branislav Jansik, et al.
The Journal of Chemical Physics
|
December 3, 2008
Variational and robust density fitting of four-center two-electron integrals in local metrics
Simen Reine, Erik Tellgren, Andreas Krapp, et al.
Journal of Computational Chemistry
|
October 31, 2012
Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamics
Vladimir V Rybkin, Anton O Simakov, Vebjørn Bakken, et al.
The Journal of Chemical Physics
|
April 28, 2007
Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory
Sonia Coriani, Stinne Høst, Branislav Jansík, et al.
The Journal of Chemical Physics
|
March 27, 2007
Linear-scaling implementation of molecular electronic self-consistent field theory
Paweł Sałek, Stinne Høst, Lea Thøgersen, et al.
Journal of Chemical Theory and Computation
|
May 19, 2021
Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
Karen Oda Hjorth Minde Dundas, Maarten T P Beerepoot, Magnus Ringholm, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
October 14, 2014
The Dalton quantum chemistry program system
Kestutis Aidas, Celestino Angeli, Keld L Bak, et al.
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of 2
Search research articles
Search
Showing results (11-20 of 18) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 18 results.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2012
MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme
Kasper Kristensen, Ida-Marie Høyvik, Branislav Jansik, et al.
The Journal of Chemical Physics
|
December 3, 2008
Variational and robust density fitting of four-center two-electron integrals in local metrics
Simen Reine, Erik Tellgren, Andreas Krapp, et al.
Journal of Computational Chemistry
|
October 31, 2012
Insights into the dynamics of evaporation and proton migration in protonated water clusters from large-scale Born-Oppenheimer direct dynamics
Vladimir V Rybkin, Anton O Simakov, Vebjørn Bakken, et al.
The Journal of Chemical Physics
|
April 28, 2007
Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory
Sonia Coriani, Stinne Høst, Branislav Jansík, et al.
The Journal of Chemical Physics
|
March 27, 2007
Linear-scaling implementation of molecular electronic self-consistent field theory
Paweł Sałek, Stinne Høst, Lea Thøgersen, et al.
Journal of Chemical Theory and Computation
|
May 19, 2021
Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
Karen Oda Hjorth Minde Dundas, Maarten T P Beerepoot, Magnus Ringholm, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
October 14, 2014
The Dalton quantum chemistry program system
Kestutis Aidas, Celestino Angeli, Keld L Bak, et al.
Page
of 2