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Derniers dépôts, tout type de documents
Sujets
Approche mixte quantique/classique
Electronic structure
ADFT
Optical spectra
Disconnectivity tree
Modélisation
22 pole cryogenic ion trap
Car-Parrinello molecular dynamics
Argile
Atrazine
Quantum chemistry
Agrégats
DUST
Line profiles
Amorphous
Catalyse
Au147
Probability flows
Nanoparticles
ISM molecules
Infrared ISM
Water clusters
QSAR
Database
Benzene
Agrégats aqueux d'ammonium/ammoniac
Anharmonic Infrared Spectroscopy
Agrégats aqueux
Champ de forces
HAP
Atomic scattering from surfaces
CONFIGURATION-INTERACTION
Brown dwarfs
Carbon cluster
Polycyclic aromatic hydrocarbon PAH
Agrégats protonés
Agrégats d'eau
Molecular data
Dehydrogenation mechanisms
Clay mineral
BOMD
Chemical shift
Methods laboratory molecular
Argon
Infrared spectra
DFTB
Agrégats moléculaires
PTMD
Photon-dominated region PDR
Collision Induced Dissociation
Clusters
Charge resonance
Astrochimie
Astrochemistry
Biodegradation
DFTB-CI
Charge transfer state
Density functional theory
CID
DFT
1
Molecular processes
Carbon clusters
PAH
Agrégats protonés uracile-eau
Modelling
Chimie quantique
Density Functional Theory
Configuration interaction
Corannulene
Dynamique moléculaire
Barium
Catalysis
Gold
Threshold algorithm
Infrared spectroscopy
Auxiliary density functional theory
Cryogenic ion trap
Polycyclic Aromatic Hydrocarbons
Charge
Clustering
Excited states
Molecular clusters
Benzene dimers
Gold clusters
CONSTANTS
SCC-DFTB
Polycyclic aromatic hydrocarbons
Ammonium/ammonia water clusters
Dynamique électronique
Alanine dipeptide
Charged system and open shell
Carbonaceous grains
Atomic data
White dwarfs
Molecular dynamics
Abundances -ISM
2
CAH