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Physical Chemistry Chemical Physics : PCCP
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August 13, 2015
How to estimate solid-electrolyte-interphase features when screening electrolyte materials
Tamara Husch, Martin Korth
Journal of Chemical Theory and Computation
|
September 7, 2018
Comprehensive Analysis of the Neglect of Diatomic Differential Overlap Approximation
Tamara Husch, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
August 11, 2015
Charting the known chemical space for non-aqueous lithium-air battery electrolyte solvents
Tamara Husch, Martin Korth
Journal of Chemical Theory and Computation
|
March 30, 2018
Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Tamara Husch, Leon Freitag, Markus Reiher
Journal of Chemical Theory and Computation
|
June 12, 2019
Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Tamara Husch, Leon Freitag, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2014
Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties
Tamara Husch, Nusret Duygu Yilmazer, Andrea Balducci, et al.
Faraday Discussions
|
October 13, 2016
Uncertainty quantification for quantum chemical models of complex reaction networks
Jonny Proppe, Tamara Husch, Gregor N Simm, et al.
Journal of the American Chemical Society
|
August 16, 2017
Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
Angewandte Chemie (International Ed. in English)
|
November 13, 2018
Hydrogen-Bonded Networks: Molecular Recognition of Cyclic Alcohols in Enantiopure Alleno-Acetylenic Cage Receptors
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
The Journal of Chemical Physics
|
April 3, 2021
Analytical gradients for molecular-orbital-based machine learning
Sebastian J R Lee, Tamara Husch, Feizhi Ding, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
August 13, 2015
How to estimate solid-electrolyte-interphase features when screening electrolyte materials
Tamara Husch, Martin Korth
Journal of Chemical Theory and Computation
|
September 7, 2018
Comprehensive Analysis of the Neglect of Diatomic Differential Overlap Approximation
Tamara Husch, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
August 11, 2015
Charting the known chemical space for non-aqueous lithium-air battery electrolyte solvents
Tamara Husch, Martin Korth
Journal of Chemical Theory and Computation
|
March 30, 2018
Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Tamara Husch, Leon Freitag, Markus Reiher
Journal of Chemical Theory and Computation
|
June 12, 2019
Correction to Calculation of Ligand Dissociation Energies in Large Transition-Metal Complexes
Tamara Husch, Leon Freitag, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
December 23, 2014
Large-scale virtual high-throughput screening for the identification of new battery electrolyte solvents: computing infrastructure and collective properties
Tamara Husch, Nusret Duygu Yilmazer, Andrea Balducci, et al.
Faraday Discussions
|
October 13, 2016
Uncertainty quantification for quantum chemical models of complex reaction networks
Jonny Proppe, Tamara Husch, Gregor N Simm, et al.
Journal of the American Chemical Society
|
August 16, 2017
Dispersion and Halogen-Bonding Interactions: Binding of the Axial Conformers of Monohalo- and (±)-trans-1,2-Dihalocyclohexanes in Enantiopure Alleno-Acetylenic Cages
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
Angewandte Chemie (International Ed. in English)
|
November 13, 2018
Hydrogen-Bonded Networks: Molecular Recognition of Cyclic Alcohols in Enantiopure Alleno-Acetylenic Cage Receptors
Cornelius Gropp, Tamara Husch, Nils Trapp, et al.
The Journal of Chemical Physics
|
April 3, 2021
Analytical gradients for molecular-orbital-based machine learning
Sebastian J R Lee, Tamara Husch, Feizhi Ding, et al.
Page
of 2