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Journal of Chemical Theory and Computation
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November 18, 2015
Spin component-scaled second-order Møller-Plesset perturbation theory for calculating NMR shieldings
Marina Maurer, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
March 9, 2017
Quantum-Chemical Study of the Discrimination against dNTP in the Nucleotide Addition Reaction in the Active Site of RNA Polymerase II
Sven Roßbach, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
December 28, 2020
The Enzymatic Decarboxylation Mechanism of 5-Carboxy Uracil: A Comprehensive Quantum Chemical Study
Andrea Kreppel, Christian Ochsenfeld
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2013
An extrapolation method for the efficient calculation of molecular response properties within Born-Oppenheimer molecular dynamics
Denis Flaig, Christian Ochsenfeld
The Journal of Chemical Physics
|
April 12, 2013
Pre-selective screening for matrix elements in linear-scaling exact exchange calculations
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
April 10, 2008
Linear-scaling fixed-node diffusion quantum Monte Carlo: accounting for the nodal information in a density matrix-based scheme
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
June 17, 2008
Efficient linear-scaling calculation of response properties: density matrix-based Laplace-transformed coupled-perturbed self-consistent field theory
Matthias Beer, Christian Ochsenfeld
The Journal of Physical Chemistry. A
|
September 6, 2024
Low-Scaling, Efficient and Memory Optimized Computation of Nuclear Magnetic Resonance Shieldings within the Random Phase Approximation Using Cholesky-Decomposed Densities and an Attenuated Coulomb Metric
Viktoria Drontschenko, Christian Ochsenfeld
The Journal of Physical Chemistry. A
|
January 9, 2025
Top-Down versus Bottom-Up Approaches for σ-Functionals Based on the Approximate Exchange Kernel
Yannick Lemke, Christian Ochsenfeld
The Journal of Chemical Physics
|
November 15, 2023
Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels
Yannick Lemke, Christian Ochsenfeld
Page
of 18
Search research articles
Search
Showing results (1-10 of 174) with videos related to
Sort By:
Page
of 18
Journal of Chemical Theory and Computation
|
November 18, 2015
Spin component-scaled second-order Møller-Plesset perturbation theory for calculating NMR shieldings
Marina Maurer, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
March 9, 2017
Quantum-Chemical Study of the Discrimination against dNTP in the Nucleotide Addition Reaction in the Active Site of RNA Polymerase II
Sven Roßbach, Christian Ochsenfeld
Journal of Chemical Theory and Computation
|
December 28, 2020
The Enzymatic Decarboxylation Mechanism of 5-Carboxy Uracil: A Comprehensive Quantum Chemical Study
Andrea Kreppel, Christian Ochsenfeld
Physical Chemistry Chemical Physics : PCCP
|
May 14, 2013
An extrapolation method for the efficient calculation of molecular response properties within Born-Oppenheimer molecular dynamics
Denis Flaig, Christian Ochsenfeld
The Journal of Chemical Physics
|
April 12, 2013
Pre-selective screening for matrix elements in linear-scaling exact exchange calculations
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
April 10, 2008
Linear-scaling fixed-node diffusion quantum Monte Carlo: accounting for the nodal information in a density matrix-based scheme
Jörg Kussmann, Christian Ochsenfeld
The Journal of Chemical Physics
|
June 17, 2008
Efficient linear-scaling calculation of response properties: density matrix-based Laplace-transformed coupled-perturbed self-consistent field theory
Matthias Beer, Christian Ochsenfeld
The Journal of Physical Chemistry. A
|
September 6, 2024
Low-Scaling, Efficient and Memory Optimized Computation of Nuclear Magnetic Resonance Shieldings within the Random Phase Approximation Using Cholesky-Decomposed Densities and an Attenuated Coulomb Metric
Viktoria Drontschenko, Christian Ochsenfeld
The Journal of Physical Chemistry. A
|
January 9, 2025
Top-Down versus Bottom-Up Approaches for σ-Functionals Based on the Approximate Exchange Kernel
Yannick Lemke, Christian Ochsenfeld
The Journal of Chemical Physics
|
November 15, 2023
Highly accurate σ- and τ-functionals for beyond-RPA methods with approximate exchange kernels
Yannick Lemke, Christian Ochsenfeld
Page
of 18