Real-Time TD-DFT With Classical Ion Dynamics: Methodology and Applications

Journal of Chemical Theory and Computation - United States
doi 10.1021/acs.jctc.5b00969
Full Text
Abstract

Available in full text

Date
Authors
Publisher

American Chemical Society (ACS)

Related search

Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference SpinFlip Time-Dependent DFT (MRSF-TD-DFT) vs SpinFlip TD-DFT

English

Real-Time Monitoring of Non-Linear Suicidal Dynamics: Methodology and a Demonstrative Case Report

Frontiers in Psychology
Psychology
2016English

Photochemistry of Methyltrioxorhenium Revisited: A DFT/TD-DFT and CASSCF/MS-CASPT2 Theoretical Study

English

Real- Time Simulation Applications

Defence Science Journal
Electronic EngineeringMechanical EngineeringPhysicsComputer Science ApplicationsElectricalChemical EngineeringAstronomyBiomedical Engineering
1987English

Electron Dynamics With Real-Time Time-Dependent Density Functional Theory

International Journal of Quantum Chemistry
Condensed Matter PhysicsMolecular Physics,Theoretical ChemistryAtomicOpticsPhysical
2016English

Optical Signatures of Borico Dyes: A TD-DFT Analysis

Theoretical Chemistry Accounts
Theoretical ChemistryPhysical
2014English

Exciting Real-Time Location Applications

IT Professional
HardwareComputer Science ApplicationsArchitectureSoftware
2011English

Theories and Applications of Mixed Quantum-Classical Non-Adiabatic Dynamics

Chinese Journal of Chemical Physics
Theoretical ChemistryPhysical
2018English

Modifier-Adaptation Methodology for Real-Time Optimization

Industrial & Engineering Chemistry Research
ChemistryChemical EngineeringManufacturing EngineeringIndustrial
2009English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy