Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Stefan Grimme

13PUBLICATIONS
41CO-AUTHORS
Chemical and thermal processes in energy and combustionComputational chemistryReaction engineering (excl. nuclear reactions)Theoretical quantum chemistryNumerical solution of differential and integral equations
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (13)

Sort by Publication Date:
|Sep 16, 2021
Calculation of improved enthalpy and entropy of vaporization by a modified partition function in quantum cluster equilibrium theory.

Paul Zaby, Johannes Ingenmey, Barbara Kirchner

|Jul 16, 2021
Revisiting conformations of methyl lactate in water and methanol.

Sergey A Katsyuba, Sebastian Spicher, Tatiana P Gerasimova

|Feb 16, 2021
r<sup>2</sup>SCAN-3c: A "Swiss army knife" composite electronic-structure method.

Stefan Grimme, Andreas Hansen, Sebastian Ehlert

|Sep 03, 2020
Simplified time-dependent density functional theory (sTD-DFT) for molecular optical rotation.

Marc de Wergifosse, Jakob Seibert, Stefan Grimme

|May 03, 2020
The first microsolvation step for furans: New experiments and benchmarking strategies.

Hannes C Gottschalk, Anja Poblotzki, Mariyam Fatima

|Apr 22, 2019
A generally applicable atomic-charge dependent London dispersion correction.

Eike Caldeweyher, Sebastian Ehlert, Andreas Hansen

Pageof 3

Frequent Collaborators

7 joint publications

Andreas Hansen

3 joint publications

Marc de Wergifosse

3 joint publications

Sebastian Ehlert

2 joint publications

Hannes C Gottschalk

2 joint publications

Anja Poblotzki

2 joint publications

Martin A Suhm

2 joint publications

Leonardo Baptista

2 joint publications

David M Benoit

2 joint publications

Michael E Harding

2 joint publications

Majdi Hochlaf

Frequent Collaborators

7 joint publications

Andreas Hansen

3 joint publications

Marc de Wergifosse

3 joint publications

Sebastian Ehlert

2 joint publications

Hannes C Gottschalk

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

8.4K
Characterization of Synthetic Polymers via Matrix Assisted Laser Desorption Ionization Time of Flight (MALDI-TOF) Mass Spectrometry
06:56

Characterization of Synthetic Polymers via Matrix Assisted Laser Desorption Ionization Time of Flight (MALDI-TOF) Mass Spectrometry

Published on : Jun 10, 2018

25.7K
Scanning-probe Single-electron Capacitance Spectroscopy
10:53

Scanning-probe Single-electron Capacitance Spectroscopy

Published on : Jul 30, 2013

13.3K
See more related videos

Top Related Videos

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from <em>ab initio</em> Thermochemistry

Published on : Apr 08, 2020

8.4K
Characterization of Synthetic Polymers via Matrix Assisted Laser Desorption Ionization Time of Flight (MALDI-TOF) Mass Spectrometry
06:56

Characterization of Synthetic Polymers via Matrix Assisted Laser Desorption Ionization Time of Flight (MALDI-TOF) Mass Spectrometry

Published on : Jun 10, 2018

25.7K
Scanning-probe Single-electron Capacitance Spectroscopy
10:53

Scanning-probe Single-electron Capacitance Spectroscopy

Published on : Jul 30, 2013

13.3K
See more related videos