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Journal of Computational Chemistry
|
May 30, 2006
A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion
Ivan Infante, Bas van Stralen, Lucas Visscher
Physical Chemistry Chemical Physics : PCCP
|
May 24, 2011
Multiscale modelling
Lucas Visscher, Peter Bolhuis, F Matthias Bickelhaupt
The Journal of Chemical Physics
|
September 1, 2022
Efficient simulation of resonance Raman spectra with tight-binding approximations to density functional theory
Sahar Ashtari-Jafari, Zahra Jamshidi, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 20, 2015
Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theory
Karin Kiewisch, Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics
|
February 4, 2012
Molecular properties via a subsystem density functional theory formulation: a common framework for electronic embedding
Sebastian Höfener, André Severo Pereira Gomes, Lucas Visscher
The Journal of Chemical Physics
|
November 5, 2005
On the accuracy of one-component pseudopotential spin-orbit calculations
Emmanuel Fromager, Lucas Visscher, Laurent Maron, et al.
The Journal of Chemical Physics
|
December 27, 2005
Orbital-free embedding applied to the calculation of induced dipole moments in CO2...X (X = He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes
Christoph R Jacob, Tomasz A Wesolowski, Lucas Visscher
The Journal of Physical Chemistry. A
|
February 28, 2008
NMR solvent shifts of acetonitrile from frozen density embedding calculations
Rosa E Bulo, Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics
|
September 1, 2006
On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO2+, NpO2(2+), and PuO2(2+)
Ivan Infante, André Severo Pereira Gomes, Lucas Visscher
The Journal of Chemical Physics
|
September 21, 2013
Solvatochromic shifts from coupled-cluster theory embedded in density functional theory
Sebastian Höfener, André Severo Pereira Gomes, Lucas Visscher
Page
of 14
Search research articles
Search
Showing results (31-40 of 140) with videos related to
Sort By:
Page
of 14
Journal of Computational Chemistry
|
May 30, 2006
A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion
Ivan Infante, Bas van Stralen, Lucas Visscher
Physical Chemistry Chemical Physics : PCCP
|
May 24, 2011
Multiscale modelling
Lucas Visscher, Peter Bolhuis, F Matthias Bickelhaupt
The Journal of Chemical Physics
|
September 1, 2022
Efficient simulation of resonance Raman spectra with tight-binding approximations to density functional theory
Sahar Ashtari-Jafari, Zahra Jamshidi, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 20, 2015
Quantum-Chemical Electron Densities of Proteins and of Selected Protein Sites from Subsystem Density Functional Theory
Karin Kiewisch, Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics
|
February 4, 2012
Molecular properties via a subsystem density functional theory formulation: a common framework for electronic embedding
Sebastian Höfener, André Severo Pereira Gomes, Lucas Visscher
The Journal of Chemical Physics
|
November 5, 2005
On the accuracy of one-component pseudopotential spin-orbit calculations
Emmanuel Fromager, Lucas Visscher, Laurent Maron, et al.
The Journal of Chemical Physics
|
December 27, 2005
Orbital-free embedding applied to the calculation of induced dipole moments in CO2...X (X = He, Ne, Ar, Kr, Xe, Hg) van der Waals complexes
Christoph R Jacob, Tomasz A Wesolowski, Lucas Visscher
The Journal of Physical Chemistry. A
|
February 28, 2008
NMR solvent shifts of acetonitrile from frozen density embedding calculations
Rosa E Bulo, Christoph R Jacob, Lucas Visscher
The Journal of Chemical Physics
|
September 1, 2006
On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO2+, NpO2(2+), and PuO2(2+)
Ivan Infante, André Severo Pereira Gomes, Lucas Visscher
The Journal of Chemical Physics
|
September 21, 2013
Solvatochromic shifts from coupled-cluster theory embedded in density functional theory
Sebastian Höfener, André Severo Pereira Gomes, Lucas Visscher
Page
of 14