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Synonyms were used for: <italic>ab initio</italic> calculations
Search without synonyms: keywords:("<italic>ab initio</italic> calculations")
Used synonyms:
- ab initio berechnung
- ab initio calculation
- ab initio method
- ab initio methode
- ab inito berechnung
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An ab initio study of the ferroelectric In2Se3/graphene heterostructure
Elsevier | 2019|Keywords: ab initio calculations -
Ab initio studies of the structural, elastic, electronic and thermal properties of NiTi2 intermetallic
Elsevier | 2015|Keywords: Ab-initio calculations -
Enhanced diffusion and permeation of hydrogen species on the partially carbon covered iron surfaces
Elsevier | 2020|Keywords: Ab initio calculations -
A multi-method, multi-scale theoretical study of He and Ne diffusion in zircon
Elsevier | 2019|Keywords: ab initio calculation -
Rational Design and Synthesis of Efficient Sunscreens To Boost the Solar Protection Factor
Wiley | 2017|Keywords: ab initio calculations -
Systematic study on the anisotropic elastic properties of tetragonal XYSb (X = Ti, Zr, Hf; Y = Si, Ge) compounds
Elsevier | 2015|Keywords: Ab initio calculations -
Influence of trap connectivity on H diffusion: Vacancy trapping
Elsevier | 2015|Keywords: ab initio calculation -
Light‐Induced Ambient Degradation of Few‐Layer Black Phosphorus: Mechanism and Protection
Wiley | 2016|Keywords: ab initio calculations -
First principles hybrid Hartree-Fock-DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides
American Institute of Physics | 2020|Keywords: Ab initio calculations -
Primary nucleation processes in binary oxide growth: The case of MgO
Elsevier | 2007|Keywords: Ab initio calculations -
autoCAS: A Program for Fully Automated Multiconfigurational Calculations
Wiley | 2019|Keywords: ab initio calculations -
Impact of Heteroatom Substitution on Dual‐State Emissive Rigidified 2‐(2’‐hydroxyphenyl)benzazole Dyes: Towards Ultra‐Bright ESIPT Fluorophores **
Wiley | 2021|Keywords: ab initio calculations -
Energy band structure and electronic transport properties of chlorine-doped polyaniline from ab initio calculations
Elsevier | 2017|Keywords: Ab initio calculation -
Electric field enhanced adsorption and diffusion of adatoms in MoS2 monolayer
Elsevier | 2016|Keywords: ab initio calculations -
Molecular dynamics investigation into the electric charge effect on the operation of ion-based carbon nanotube oscillators
Elsevier | 2015|Keywords: ab initio calculations -
Raman spectrum of NaAlSi2O6jadeite. A quantum mechanical simulation
Free accessBASE | 2014|Keywords: ab initio calculations -
Determination of the Electric Dipole Moment of a Molecule from Plane-Wave Density Functional Theory Calculations
Online Contents | 2020|Keywords: Ab-initio calculation -
The alkali and alkaline earth metal doped ZnO nanotubes: DFT studies
Elsevier | 2013|Keywords: Ab-initio calculations -
Synthesis and Structural Investigation of Zr(BH4)(4)
Free accessBASE | 2012|Keywords: Ab initio calculation -
2,2-Dipicolylamino substituted 2-(2′-hydroxybenzofuranyl) benzoxazole (HBBO) derivative: Towards ratiometric sensing of divalent zinc cations
Elsevier | 2021|Keywords: ab initio calculations
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