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Journal of Chemical Theory and Computation
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October 18, 2024
Assessing the Partial Hessian Approximation in QM/MM-Based Vibrational Analysis
Jonas Vester, Jógvan Magnus Haugaard Olsen
Journal of Chemical Theory and Computation
|
September 4, 2023
Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds
David Carrasco-Busturia, Jógvan Magnus Haugaard Olsen
Physical Chemistry Chemical Physics : PCCP
|
June 8, 2017
Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution
Jógvan Magnus Haugaard Olsen, Erik Donovan Hedegård
Journal of Chemical Theory and Computation
|
February 15, 2018
Polarizable Density Embedding Coupled Cluster Method
Dalibor Hršak, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Journal of Chemical Theory and Computation
|
November 19, 2015
Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential
Casper Steinmann, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
The Journal of Physical Chemistry Letters
|
November 28, 2017
Polarizable Density Embedding: A Solution to the Electron Spill-Out Problem in Multiscale Modeling
Peter Reinholdt, Jacob Kongsted, Jógvan Magnus Haugaard Olsen
Integrative Biology : Quantitative Biosciences From Nano to Macro
|
August 15, 2014
Binding free energy based structural dynamics analysis of HIV-1 RT RNase H-inhibitor complexes
Vasanthanathan Poongavanam, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Journal of Computational Chemistry
|
June 24, 2017
Optimization and transferability of non-electrostatic repulsion in the polarizable density embedding model
Dalibor Hršak, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Scientific Reports
|
December 23, 2015
Quantifying electron transfer reactions in biological systems: what interactions play the major role?
Emil Sjulstok, Jógvan Magnus Haugaard Olsen, Ilia A Solov'yov
Physical Chemistry Chemical Physics : PCCP
|
July 16, 2016
Excited states in large molecular systems through polarizable embedding
Nanna Holmgaard List, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Page
of 7
Search research articles
Search
Showing results (1-10 of 65) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
October 18, 2024
Assessing the Partial Hessian Approximation in QM/MM-Based Vibrational Analysis
Jonas Vester, Jógvan Magnus Haugaard Olsen
Journal of Chemical Theory and Computation
|
September 4, 2023
Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds
David Carrasco-Busturia, Jógvan Magnus Haugaard Olsen
Physical Chemistry Chemical Physics : PCCP
|
June 8, 2017
Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution
Jógvan Magnus Haugaard Olsen, Erik Donovan Hedegård
Journal of Chemical Theory and Computation
|
February 15, 2018
Polarizable Density Embedding Coupled Cluster Method
Dalibor Hršak, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Journal of Chemical Theory and Computation
|
November 19, 2015
Nuclear Magnetic Shielding Constants from Quantum Mechanical/Molecular Mechanical Calculations Using Polarizable Embedding: Role of the Embedding Potential
Casper Steinmann, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
The Journal of Physical Chemistry Letters
|
November 28, 2017
Polarizable Density Embedding: A Solution to the Electron Spill-Out Problem in Multiscale Modeling
Peter Reinholdt, Jacob Kongsted, Jógvan Magnus Haugaard Olsen
Integrative Biology : Quantitative Biosciences From Nano to Macro
|
August 15, 2014
Binding free energy based structural dynamics analysis of HIV-1 RT RNase H-inhibitor complexes
Vasanthanathan Poongavanam, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Journal of Computational Chemistry
|
June 24, 2017
Optimization and transferability of non-electrostatic repulsion in the polarizable density embedding model
Dalibor Hršak, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Scientific Reports
|
December 23, 2015
Quantifying electron transfer reactions in biological systems: what interactions play the major role?
Emil Sjulstok, Jógvan Magnus Haugaard Olsen, Ilia A Solov'yov
Physical Chemistry Chemical Physics : PCCP
|
July 16, 2016
Excited states in large molecular systems through polarizable embedding
Nanna Holmgaard List, Jógvan Magnus Haugaard Olsen, Jacob Kongsted
Page
of 7