ab initio calculation
Ab initio calculation of the thermal conductivity of indium antimonide
8
Ab initio calculation of the 66 low lying electronic states of HeH+ : adiabatic and diabatic representations
13
Ab initio calculation of spin-dependent electron-phonon coupling and transport in iron and cobalt
16
Ab initio calculation of H interactions with defects in fcc metals : crack tip dislocations and vacancies
143
Ab initio calculation of effective work functions for a TiN/HfO(2)/SiO(2)/Si transistor stack
5
THE ELECTROSTATIC PROPERTIES OF 1, 2-DIMETHYL-3-NITROBENZENE COMPOUND: ab initio CALCULATION AND X-RAY CHARGE DENSITY ANALYSIS
11
Ab initio Calculation of the np → dy Radiative Capture Process
7
Ab initio calculation of the potential bubble nucleus $^{34}$Si
18
Ab initio calculation of the rotational spectrum of methane vibrational ground state
123
Ab initio calculation of H + He+ charge-transfer cross section for plasma physics
9
Ab initio converse NMR approach for pseudopotentials
11
Ab-initio Gutzwiller method: first application to Plutonium
27
Ab initio electronic stopping power in materials
116
Computational methods for Ab initio molecular dynamics
16
Ab-initio simulation of novel solid electrolytes
43
Etude par la méthode ab initio des propriétés vibrationnelles de l’alanine
35
Ab Initio Batch Emulsion Thiol–Ene Photopolymerization
36
Ab-Initio Calculations
11
Étude ab initio des nanotubes de carbone
87
Etude ab initio de la structure électronique des oxydes de cobalt NaxCoO2
96