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

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Dipoles affect conformational equilibrium.

Journal of photochemistry and photobiology. A, Chemistry·2026
Same author

Coupling the Diffusive Transport and Langmuir-Hinshelwood Reaction Kinetics for Kinetic Model Discrimination: A New Insight from an Old Concept.

Entropy (Basel, Switzerland)·2026
Same author

Optical nanoscopy of spatiotemporal metal stripping cooperativity at single-ion and subparticle resolution.

Nature materials·2026
Same author

Reductive N-methylation of Aromatic Nitro Compounds on N-CNT.

Chemistry, an Asian journal·2026
Same author

Crystal Structure Prediction for Aprotic Ionic Liquids - Searching for the Unknown.

Crystal growth & design·2026
Same author

BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs.

Crystal growth & design·2026

Related Experiment Video

Updated: Aug 7, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.5K

Editorial: Fragment-based electronic structure methods for solids

Oleksandr Loboda1, Peter Strizhak2, Robert W Góra3

  • 1AC2T research GmbH, Wiener Neustadt, Austria.

Frontiers in Chemistry
|March 13, 2023
PubMed
Summary

No abstract available in PubMed .

Keywords:
DFTGIPAWNMRembedding modelsfragment approachionic solidsmolecular crystals

More Related Videos

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.7K
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.3K

Related Experiment Videos

Last Updated: Aug 7, 2025

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.5K
Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
13:56

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations

Published on: October 12, 2019

7.7K
Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.3K