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Journal of Chemical Theory and Computation
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June 9, 2018
Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory
Giovanni Bistoni, Iakov Polyak, Manuel Sparta, et al.
Journal of Chemical Theory and Computation
|
November 29, 2015
New Formulation and Implementation of Vibrational Self-Consistent Field Theory
Mikkel B Hansen, Manuel Sparta, Peter Seidler, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations
Manuel Sparta, Mikkel B Hansen, Eduard Matito, et al.
Journal of Chemical Theory and Computation
|
June 8, 2017
Multilevel Approaches within the Local Pair Natural Orbital Framework
Manuel Sparta, Marius Retegan, Peter Pinski, et al.
Biophysical Journal
|
September 6, 2012
Hybrid dynamics simulation engine for metalloproteins
Manuel Sparta, David Shirvanyants, Feng Ding, et al.
Journal of Chemical Theory and Computation
|
February 19, 2016
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory
Dimitrios G Liakos, Manuel Sparta, Manoj K Kesharwani, et al.
Journal of Chemical Theory and Computation
|
August 27, 2016
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework
Wolfgang B Schneider, Giovanni Bistoni, Manuel Sparta, et al.
Page
of 2
Search research articles
Search
Showing results (11-20 of 17) with videos related to
Sort By:
Page
of 2
You have reached the last page of results.
This site can display upto 17 results.
Journal of Chemical Theory and Computation
|
June 9, 2018
Toward Accurate QM/MM Reaction Barriers with Large QM Regions Using Domain Based Pair Natural Orbital Coupled Cluster Theory
Giovanni Bistoni, Iakov Polyak, Manuel Sparta, et al.
Journal of Chemical Theory and Computation
|
November 29, 2015
New Formulation and Implementation of Vibrational Self-Consistent Field Theory
Mikkel B Hansen, Manuel Sparta, Peter Seidler, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations
Manuel Sparta, Mikkel B Hansen, Eduard Matito, et al.
Journal of Chemical Theory and Computation
|
June 8, 2017
Multilevel Approaches within the Local Pair Natural Orbital Framework
Manuel Sparta, Marius Retegan, Peter Pinski, et al.
Biophysical Journal
|
September 6, 2012
Hybrid dynamics simulation engine for metalloproteins
Manuel Sparta, David Shirvanyants, Feng Ding, et al.
Journal of Chemical Theory and Computation
|
February 19, 2016
Exploring the Accuracy Limits of Local Pair Natural Orbital Coupled-Cluster Theory
Dimitrios G Liakos, Manuel Sparta, Manoj K Kesharwani, et al.
Journal of Chemical Theory and Computation
|
August 27, 2016
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework
Wolfgang B Schneider, Giovanni Bistoni, Manuel Sparta, et al.
Page
of 2