Passer à la navigation principale
Passer à la recherche
Passer au contenu principal
Trier par
INIS
zeolites
100%
distance
53%
multipoles
50%
energy
44%
interactions
44%
molecules
44%
approximations
40%
periodicity
33%
charges
33%
hartree-fock method
33%
oxygen
25%
synthesis
22%
confinement
22%
molecular sieves
22%
universities
22%
probes
22%
iterative methods
22%
atoms
22%
simulation
22%
comparative evaluations
20%
crystals
16%
electrostatics
14%
vision
11%
variations
11%
naa
11%
chemistry
11%
dipole moments
11%
polarizability
11%
electronic structure
11%
porous materials
11%
perturbation theory
11%
quadrupole moments
11%
design
11%
gases
11%
optimization
11%
bond angle
11%
bond lengths
11%
hydrogen
11%
catalysis
11%
units
5%
Keyphrases
Theoretical Estimation
22%
Hydrogen Properties
22%
Physical Concepts
22%
Probe Molecule
22%
Internuclear Distance
22%
Molecular Properties
22%
Zeolite A
22%
Intramolecular Distances
22%
Siliceous Zeolite
22%
Band Shift
14%
Polarizability
11%
Electrostatic Field Effect
11%
Multipole Moments
11%
Numerical Procedure
11%
Small Variation
11%
Adsorption
11%
Iterative Procedure
11%
A-type
11%
Energy Properties
11%
Relative Independence
11%
Gas State
11%
Molecular Hydrogen
11%
Silicalite
11%
Gaussian Basis Sets
11%
Elementary Unit
11%
Form Type
11%
CRYSTAL Code
11%
Computing Facility
11%
Spatial Parameters
7%
Linear Framework
7%
CO Molecule
7%
Energy Value
7%
Probability Distribution
7%
Energy Shift
7%
Full Professor
7%
Molecular Simulation
7%
Multiple Aspects
7%
Friendship
7%
All of Us
7%
Chemical Synthesis
7%
CO Probe
7%
Semiaxis
7%
Chemistry
Molecular Property
44%
Multipole
22%
Diatomic Molecule
22%
Aluminophosphates
22%
Calorific Value
22%
Polarizability
11%
Multipole Moment
11%
k·p perturbation theory
11%
Intermolecular Force
11%
Field Effect
11%
Electronic State
11%
Dipole Moment
11%
Quadrupole Moment
11%
Gaussian Distribution
11%
Hydrogen
11%
Electrostatic Field
11%