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Journal of Chemical Theory and Computation
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July 12, 2022
Efficient Integral-Direct Methods for Self-Consistent Reduced Density Matrix Functional Theory Calculations on Central and Graphics Processing Units
Y Lemke, J Kussmann, C Ochsenfeld
The Journal of Chemical Physics
|
August 10, 2014
Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units
S A Maurer, J Kussmann, C Ochsenfeld
The Journal of Chemical Physics
|
January 30, 2021
A scaled explicitly correlated F12 correction to second-order Møller-Plesset perturbation theory
L Urban, T H Thompson, C Ochsenfeld
The Journal of Chemical Physics
|
April 1, 2023
Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation
M A Ambroise, F Sacchetta, D Graf, et al.
Science (New York, N.Y.)
|
March 21, 1998
The formation of HCS and HCSH molecules and their role in the collision of comet Shoemaker-Levy 9 with Jupiter
R I Kaiser, C Ochsenfeld, M Head-Gordon, et al.
Journal of the American Chemical Society
|
July 18, 2001
Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments: a columnar hexabenzocoronene derivative
C Ochsenfeld, S P Brown, I Schnell, et al.
Science (New York, N.Y.)
|
November 29, 1996
A combined experimental and theoretical study on the formation of interstellar C3H isomers
R I Kaiser, C Ochsenfeld, M Head-Gordon, et al.
The Journal of Chemical Physics
|
September 15, 2022
An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb metric
F Sacchetta, D Graf, H Laqua, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 12, 2022
Efficient Integral-Direct Methods for Self-Consistent Reduced Density Matrix Functional Theory Calculations on Central and Graphics Processing Units
Y Lemke, J Kussmann, C Ochsenfeld
The Journal of Chemical Physics
|
August 10, 2014
Communication: A reduced scaling J-engine based reformulation of SOS-MP2 using graphics processing units
S A Maurer, J Kussmann, C Ochsenfeld
The Journal of Chemical Physics
|
January 30, 2021
A scaled explicitly correlated F12 correction to second-order Møller-Plesset perturbation theory
L Urban, T H Thompson, C Ochsenfeld
The Journal of Chemical Physics
|
April 1, 2023
Scaled opposite-spin atomic-orbital based algebraic diagrammatic construction scheme for the polarization propagator with asymptotic linear-scaling effort: Theory and implementation
M A Ambroise, F Sacchetta, D Graf, et al.
Science (New York, N.Y.)
|
March 21, 1998
The formation of HCS and HCSH molecules and their role in the collision of comet Shoemaker-Levy 9 with Jupiter
R I Kaiser, C Ochsenfeld, M Head-Gordon, et al.
Journal of the American Chemical Society
|
July 18, 2001
Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments: a columnar hexabenzocoronene derivative
C Ochsenfeld, S P Brown, I Schnell, et al.
Science (New York, N.Y.)
|
November 29, 1996
A combined experimental and theoretical study on the formation of interstellar C3H isomers
R I Kaiser, C Ochsenfeld, M Head-Gordon, et al.
The Journal of Chemical Physics
|
September 15, 2022
An effective sub-quadratic scaling atomic-orbital reformulation of the scaled opposite-spin RI-CC2 ground-state model using Cholesky-decomposed densities and an attenuated Coulomb metric
F Sacchetta, D Graf, H Laqua, et al.
Page
of 1