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Sujets
Astrochemistry
Water clusters
Fenhexamide
Auxiliary density functional theory
HAP
PAH
Alanine dipeptide
Atrazine
Molecular dynamics
Density functional tight binding
Amorphous
Approche mixte quantique/classique
Agrégats aqueux d'ammonium/ammoniac
DFTB
Barium
Density functional theory
Carbon cluster
DFTB-CI
Polycyclic Aromatic Hydrocarbons
Nanoparticles
Infrared spectroscopy
Agrégats protonés
Effets de température
Fi
DUST
Database
Molecular clusters
Dynamics
Excited states
Electronic Structure
Benzene
Molecular data
Atomic data
EXTENDED RED EMISSION
Femtochimie
1
Catalysis
FAR-IR
Champ de forces
BOMD
Density Functional Theory
EMISSION-SPECTRA
Dynamique électronique
Clusters
ADFT
2
Collision Induced Dissociation
CID
Catalyse
Electron and nuclear dynamics
Carbonaceous grains
Chemical shift
Agrégats protonés uracile-eau
Benzene dimers
DFT
Finite-temperature effects
Corannulene
Charged system and open shell
Fenhexamid
ISM molecules
Quantum chemistry
White dwarfs
CAH
Car-Parrinello molecular dynamics
Disconnectivity tree
Ammonium/ammonia water clusters
Dusty plasma
Electronic structure
Astrochimie
Configuration interaction
Dynamique Moléculaire Car-Parrinello
Agrégats moléculaires
Au147
CONSTANTS
Energie renouvelable
Dynamique moléculaire
Agrégats aqueux
Agrégats d'eau
Biodegradation
Dftb
22 pole cryogenic ion trap
Clay mineral
Agrégats
Disconnectivity Tree
Free electron laser
Charge transfer state
CONFIGURATION-INTERACTION
Argile
SCC-DFTB
Anharmonic Infrared Spectroscopy
Argon
Force fields
Charge resonance
Chimie quantique
Line profiles
Energy landscape
Brown dwarfs
Effets quantiques des noyaux
Cryogenic ion trap
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