Loading...
Welcome to the team Modelisation, Clusters, Dynamic HAL collection
Deposited files
73
Deposited records
138
Open access rate
51 %
Sujets
Fi
Benzene
Effets quantiques des noyaux
Atomic data
DFTB-CI
Champ de forces
Configuration interaction
Astrochemistry
Femtochimie
Clay mineral
Barium
Benzene dimers
Ammonium/ammonia water clusters
Excited states
Charge transfer state
CAH
Charge resonance
Argile
Effets de température
Agrégats d'eau
Molecular clusters
Agrégats moléculaires
Infrared spectroscopy
Agrégats protonés uracile-eau
Dynamique électronique
Force fields
Molecular data
Catalysis
DFT
Density functional theory
Electronic Structure
2
Fenhexamid
ISM molecules
Molecular dynamics
Argon
Atrazine
Free electron laser
Collision Induced Dissociation
Energie renouvelable
Agrégats aqueux
22 pole cryogenic ion trap
ADFT
FAR-IR
DUST
Brown dwarfs
Auxiliary density functional theory
Anharmonic Infrared Spectroscopy
Carbon cluster
CID
Finite-temperature effects
DFTB
Polycyclic Aromatic Hydrocarbons
Density functional tight binding
Disconnectivity tree
Catalyse
CONSTANTS
Dynamique Moléculaire Car-Parrinello
Carbonaceous grains
Charged system and open shell
EMISSION-SPECTRA
Dftb
Amorphous
Approche mixte quantique/classique
Corannulene
Agrégats aqueux d'ammonium/ammoniac
Energy landscape
Free energy surface
Fenhexamide
CONFIGURATION-INTERACTION
Chimie quantique
Line profiles
Dusty plasma
Water clusters
Disconnectivity Tree
Au147
BOMD
Astrochimie
Dynamique moléculaire
Car-Parrinello molecular dynamics
Clusters
Agrégats protonés
Dynamics
Quantum chemistry
White dwarfs
Electronic structure
HAP
SCC-DFTB
1
Cryogenic ion trap
PAH
Alanine dipeptide
Chemical shift
Electron and nuclear dynamics
Biodegradation
Density Functional Theory
Agrégats
Nanoparticles
EXTENDED RED EMISSION
Last publications
-
-
-
Gabi Wenzel, Aude Simon, Shreyak Banhatti, Pavol Jusko, Stephan Schlemmer, et al.. Infrared spectroscopy of the benzylium-like (and tropylium-like) isomers formed in the -H dissociative ionization of methylated PAHs. Journal of Molecular Spectroscopy, 2022, 385, ⟨10.1016/j.jms.2022.111620⟩. ⟨insu-03672040⟩
-
-