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Journal of Chemical Information and Modeling
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May 22, 2023
Accelerating Reaction Network Explorations with Automated Reaction Template Extraction and Application
Jan P Unsleber
Annual Review of Physical Chemistry
|
February 28, 2020
The Exploration of Chemical Reaction Networks
Jan P Unsleber, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
February 16, 2016
No need for external orthogonality in subsystem density-functional theory
Jan P Unsleber, Johannes Neugebauer, Christoph R Jacob
Dalton Transactions (Cambridge, England : 2003)
|
February 10, 2018
DFT methods applied to answer the question: how accurate is the ligand acidity constant method for estimating the pK<sub>a</sub> of transition metal hydride complexes MHXL<sub>4</sub> when X is varied?
Jan P Unsleber, Johannes Neugebauer, Robert H Morris
Journal of Chemical Theory and Computation
|
August 4, 2022
Chemoton 2.0: Autonomous Exploration of Chemical Reaction Networks
Jan P Unsleber, Stephanie A Grimmel, Markus Reiher
Journal of Chemical Theory and Computation
|
January 5, 2022
Solvation Free Energies in Subsystem Density Functional Theory
Moritz Bensberg, Paul L Türtscher, Jan P Unsleber, et al.
Journal of Computational Chemistry
|
January 12, 2018
Serenity: A subsystem quantum chemistry program
Jan P Unsleber, Thomas Dresselhaus, Kevin Klahr, et al.
Digital Discovery
|
June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
Alessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.
Accounts of Chemical Research
|
December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.
The Journal of Physical Chemistry. A
|
October 3, 2024
Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks
Charlotte H Müller, Miguel Steiner, Jan P Unsleber, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
May 22, 2023
Accelerating Reaction Network Explorations with Automated Reaction Template Extraction and Application
Jan P Unsleber
Annual Review of Physical Chemistry
|
February 28, 2020
The Exploration of Chemical Reaction Networks
Jan P Unsleber, Markus Reiher
Physical Chemistry Chemical Physics : PCCP
|
February 16, 2016
No need for external orthogonality in subsystem density-functional theory
Jan P Unsleber, Johannes Neugebauer, Christoph R Jacob
Dalton Transactions (Cambridge, England : 2003)
|
February 10, 2018
DFT methods applied to answer the question: how accurate is the ligand acidity constant method for estimating the pK<sub>a</sub> of transition metal hydride complexes MHXL<sub>4</sub> when X is varied?
Jan P Unsleber, Johannes Neugebauer, Robert H Morris
Journal of Chemical Theory and Computation
|
August 4, 2022
Chemoton 2.0: Autonomous Exploration of Chemical Reaction Networks
Jan P Unsleber, Stephanie A Grimmel, Markus Reiher
Journal of Chemical Theory and Computation
|
January 5, 2022
Solvation Free Energies in Subsystem Density Functional Theory
Moritz Bensberg, Paul L Türtscher, Jan P Unsleber, et al.
Journal of Computational Chemistry
|
January 12, 2018
Serenity: A subsystem quantum chemistry program
Jan P Unsleber, Thomas Dresselhaus, Kevin Klahr, et al.
Digital Discovery
|
June 14, 2023
Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
Alessandra Toniato, Jan P Unsleber, Alain C Vaucher, et al.
Accounts of Chemical Research
|
December 17, 2021
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths
Alberto Baiardi, Stephanie A Grimmel, Miguel Steiner, et al.
The Journal of Physical Chemistry. A
|
October 3, 2024
Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks
Charlotte H Müller, Miguel Steiner, Jan P Unsleber, et al.
Page
of 2