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Angewandte Chemie (International Ed. in English)
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May 7, 2021
Comment on "The Nature of Chalcogen-Bonding-Type Tellurium-Nitrogen Interactions": Fixing the Description of Finite-Temperature Effects Restores the Agreement Between Experiment and Theory
Jan-Michael Mewes, Andreas Hansen, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2022
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
Johannes Gorges, Stefan Grimme, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 25, 2017
Comprehensive theoretical study of all 1812 C<sub>60</sub> isomers
Rebecca Sure, Andreas Hansen, Peter Schwerdtfeger, et al.
The Journal of Chemical Physics
|
October 15, 2013
Natural triple excitations in local coupled cluster calculations with pair natural orbitals
Christoph Riplinger, Barbara Sandhoefer, Andreas Hansen, et al.
Journal of Computational Chemistry
|
April 26, 2022
Computational study of ground-state properties of μ<sub>2</sub> -bridged group 14 porphyrinic sandwich complexes
Julia Kohn, Markus Bursch, Andreas Hansen, et al.
Accounts of Chemical Research
|
March 20, 2009
Accurate theoretical chemistry with coupled pair models
Frank Neese, Andreas Hansen, Frank Wennmohs, et al.
The Journal of Physical Chemistry. A
|
May 19, 2025
Accurate Calculation of Noncovalent Interactions Using PNO-LCCSD(T)-F12 in Molpro
Andreas Hansen, Peter J Knowles, Hans-Joachim Werner
Journal of Chemical Theory and Computation
|
February 20, 2020
Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical Methods
Sebastian Dohm, Markus Bursch, Andreas Hansen, et al.
The Journal of Physical Chemistry. A
|
December 2, 2024
Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements <i>Z</i> = 1-103
Marcel Müller, Thomas Froitzheim, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2021
Benchmarking London dispersion corrected density functional theory for noncovalent ion-π interactions
Sebastian Spicher, Eike Caldeweyher, Andreas Hansen, et al.
Page
of 10
Search research articles
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Showing results (21-30 of 100) with videos related to
Sort By:
Page
of 10
Angewandte Chemie (International Ed. in English)
|
May 7, 2021
Comment on "The Nature of Chalcogen-Bonding-Type Tellurium-Nitrogen Interactions": Fixing the Description of Finite-Temperature Effects Restores the Agreement Between Experiment and Theory
Jan-Michael Mewes, Andreas Hansen, Stefan Grimme
Physical Chemistry Chemical Physics : PCCP
|
May 11, 2022
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
Johannes Gorges, Stefan Grimme, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 25, 2017
Comprehensive theoretical study of all 1812 C<sub>60</sub> isomers
Rebecca Sure, Andreas Hansen, Peter Schwerdtfeger, et al.
The Journal of Chemical Physics
|
October 15, 2013
Natural triple excitations in local coupled cluster calculations with pair natural orbitals
Christoph Riplinger, Barbara Sandhoefer, Andreas Hansen, et al.
Journal of Computational Chemistry
|
April 26, 2022
Computational study of ground-state properties of μ<sub>2</sub> -bridged group 14 porphyrinic sandwich complexes
Julia Kohn, Markus Bursch, Andreas Hansen, et al.
Accounts of Chemical Research
|
March 20, 2009
Accurate theoretical chemistry with coupled pair models
Frank Neese, Andreas Hansen, Frank Wennmohs, et al.
The Journal of Physical Chemistry. A
|
May 19, 2025
Accurate Calculation of Noncovalent Interactions Using PNO-LCCSD(T)-F12 in Molpro
Andreas Hansen, Peter J Knowles, Hans-Joachim Werner
Journal of Chemical Theory and Computation
|
February 20, 2020
Semiautomated Transition State Localization for Organometallic Complexes with Semiempirical Quantum Chemical Methods
Sebastian Dohm, Markus Bursch, Andreas Hansen, et al.
The Journal of Physical Chemistry. A
|
December 2, 2024
Advanced Charge Extended Hückel (CEH) Model and a Consistent Adaptive Minimal Basis Set for the Elements <i>Z</i> = 1-103
Marcel Müller, Thomas Froitzheim, Andreas Hansen, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 12, 2021
Benchmarking London dispersion corrected density functional theory for noncovalent ion-π interactions
Sebastian Spicher, Eike Caldeweyher, Andreas Hansen, et al.
Page
of 10