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Keyword [ab initio]
Result: 181 - 200 | Page: 10 of 10
181.
Ab initio single and multiple scattering EXAFS Debye-Waller factor
182.
Ab initio statistical mechanics of structural phase transitions
183.
Ab initio calculation of dipole polarizabilities for nonlinear optics applications
184.
Methods in ab initio Hartree-Fock molecular dynamic
185.
Tight binding parameterization from ab-initio calculations and its applications
186.
AB INITIO THEORETICAL PREDICTIONS OF HIGH-PRESSURE AND HIGH-TEMPERATURE PROPERTIES OF LOWER MANTLE MINERAL PHASES
187.
CONFORMATIONAL ANALYSIS AND STRUCTURAL CHEMISTRY: A HYBRID APPROACH (ELECTRON DIFFRACTION)
188.
Density Functional and Ab Initio Study of Molecular Response
189.
Introduction of a fully relativistic capable basis set in the ab initio orthogonalized linear combination of atomic orbitals method
190.
An ab initio study of XBOy (X =H, F, Cl, Br and y = -1, 0, +1) interstellar species
191.
Ab Initio Electron Transport in Monoclinic beta-Ga 2O
192.
Quasiparticle and Optical Properties of Quasi-Two-Dimensional System
193.
States And Migration Of Excess Electrons In Novel Liquid Media Revealed By Ab Initio Molecular Dynamics Simulation
194.
First-principles Calculations On The Structures And Electronic Structures Of Graphene Allotropes And Their Nanotubes
195.
Cage-like Clusters With Transition Metals:Ab Initio Prediction Of Configurations And Properties
196.
Ab Initio Study Of Novel Low Dimensional Dialkali Metal Monchalcogenides
197.
Ab Initio Studies Of ? B Metals And Their Alloys Under High Pressure
198.
First-Principles Study Of Monolayer Ice Structure
199.
Theoretical Investigation Of The Surface Effect Impact On The Hydrogen Vacancy Formation Of MgH
2
200.
The Establishment Of The High Precision Potential Energy Surfaces Of SiH
2
System And The Corresponding Dynamics Study
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