Related Experiment Video

Updated: Mar 30, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

6.1K

Correction to Constant pH Molecular Dynamics in Explicit Solvent with λ-Dynamics

Serena Donnini1, Florian Tegeler1, Gerrit Groenhof1

  • 1Department of Theoretical and Computational Biophysics, Max Planck Institute for Biophysical Chemistry, Göttingen, Germany.

Journal of Chemical Theory and Computation
|November 20, 2015
PubMed
Summary

No abstract available in PubMed .

More Related Videos

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.5K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

5.2K

Related Experiment Videos

Last Updated: Mar 30, 2026

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

6.1K
Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.5K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

5.2K

Related Concept Videos

Distribution of Molecular Speeds01:27

Distribution of Molecular Speeds

6.0K
The motion of molecules in a gas is random in magnitude and direction for individual molecules, but a gas of many molecules has a predictable distribution of molecular speeds. This predictable distribution of molecular speeds is known as the Maxwell-Boltzmann distribution. The distribution of molecular speeds in liquids is comparable to that of gases but not identical and can help to understand the phenomenon of the boiling and vapor pressure of a liquid. Consider that a molecule requires a...
6.0K
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

20.1K
The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
20.1K

Articles linked to this work by shared authors, journal, and citation graph.

A minimal chemo-mechanical Markov model for rotary catalysis of F<sub>1</sub>-ATPase.

Nature communications·2026

Quantifying the Number of Dark, Gray, and Bright States as a Function of the Spectral Overlap in Polaritonic Systems.

Nano letters·2026

Hierarchical multi-timescale structural dynamics of the disordered N-terminal of p53.

Nature communications·2026

Diverse mechanisms of translation arrest by a Clostridia ribosome stalling peptide CliM.

Nature communications·2026

Bimodal Peptide Collision Cross Section Distribution Reflects Two Stable Conformations in the Gas Phase.

Journal of proteome research·2026

Improving Conformational Ensembles of Folded Proteins in Go̅Martini.

Journal of chemical theory and computation·2026

TENSO: Software Package for Numerically Exact Open Quantum Dynamics Based on Efficient Tree Tensor Network Decomposition of the Hierarchical Equations of Motion.

Journal of chemical theory and computation·2026

From Wave Function Sign Structure to Static Correlation.

Journal of chemical theory and computation·2026

Statistical Mechanics of a 2D Material in a Gas Reservoir.

Journal of chemical theory and computation·2026

Two-Photon Absorption of Quadrupolar Dyes: Performance of Density Functional Approximations.

Journal of chemical theory and computation·2026

SGMSC: A New Software for Searching the Global-Minimum Structure of Surface-Supported Clusters by the Improved Basin Hopping Algorithm and Embedded Atom Potentials.

Journal of chemical theory and computation·2026

Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.

Journal of chemical theory and computation·2026

Aromaticity-promoted oxygen-centered radical stability in α-hydroxy heterocyclics.

Physical chemistry chemical physics : PCCP·2026

Fermi-Resonance Raman Spectra of Acetonitrile in Water and Water-Acetonitrile Mixture Solutions Based on the Reference Interaction Site Model Self-Consistent Field Method Coupled with Constrained Spatial Electron Density Distribution and Vibrational Quasi-Degenerate Perturbation Theory.

The journal of physical chemistry. B·2026

A many-electron perspective on aromaticity: investigating delocalization using probability density analysis.

Physical chemistry chemical physics : PCCP·2026

Genome-Wide Identification of the P-Type Ca<sup>2+</sup>-ATPase Gene Family in Maize and Its Expression Dynamics Under Abiotic and Biotic Stress Conditions.

International journal of molecular sciences·2026

Potential-mediated enol-keto equilibrium in phenol electro-hydrogenation on platinum.

Nature communications·2026

Semiclassical Theory of Stepped Electrodes and Step Bunching.

Journal of the American Chemical Society·2026
See all related articles
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
Jove
Visualize
Contact Us