Year of publication
Type of material
Licence
TIB reading rooms collection
1–20 of 21,563 hits
Sort by:
Sort by:
-
Twisted bilayer blue phosphorene: A direct band gap semiconductor
Elsevier | 2016|Keywords: ab initio -
Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism
Wiley | 2011|Keywords: ab initio molecular‐dynamics -
Ultra-broad spectral photo-response in FePS3 air-stable devices
Free accessBASE | 2021|Keywords: Ab-initio theory -
Calculation of intermolecular potentials for H2 H2 and H2 O2 dimers ab initio and prediction of second virial coefficients
Elsevier | 2015|Keywords: Ab-initio intermolecular interaction potentials, Ab-initio calculation -
The Nature of the Interlayer Interaction in Bulk and Few-Layer Phosphorus
American Chemical Society | 2015|Keywords: ab initio -
Ab initio investigations of the phase stability in group IVB and VB transition metal nitrides
Elsevier | 2017|Keywords: Ab initio -
Unbiased Angular Overlap Model parameters from ab initio calculations
Free accessTIBKAT | 2024|Keywords: Ab-initio-Rechnung -
Local embedded-fragment methods for excited states in periodic systems
Free accessTIBKAT | 2023|Keywords: Ab-initio-Rechnung -
Computational Investigations of the Photocatalytic Reduction of CO2
Free accessTIBKAT | 2022|Keywords: Ab-initio-Rechnung -
Quasiparticle energies from second-order perturbation theory
Free accessTIBKAT | 2022|Keywords: Ab-initio-Rechnung -
Particle Size Dependence of the Ionic Diffusivity
American Chemical Society | 2010|Keywords: ab initio -
Ab initio investigations of the phase stability in group IVB and VB transition metal carbides
Elsevier | 2015|Keywords: Ab initio -
CO32–Mobility in Carbonate Apatite As Revealed by Density Functional Modeling
Free accessBASE | 2014|Keywords: ab-initio calculation, ab initio molecular dynamic -
An ab initio study of the ferroelectric In2Se3/graphene heterostructure
Elsevier | 2019|Keywords: ab initio calculations -
Implementation and Application of the Core Polarization Potential Ansatz in Quantum Chemical Systems
Free accessTIBKAT | 2021|Keywords: Ab-initio-Rechnung -
Computational Evaluation of Li-doped g-C2N Monolayer as Advanced Hydrogen Storage Media
Elsevier | 2021|Keywords: Ab initio -
Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study
Free accessDOAJ | 2019|Keywords: ab-initio potential, ab initio calculations -
Ab initio studies of the structural, elastic, electronic and thermal properties of NiTi2 intermetallic
Elsevier | 2015|Keywords: Ab-initio calculations -
Calculation of second virial coefficients using ab initio intermolecular pair potentials for F2-F2 and H2-F2 dimers
Elsevier | 2017|Keywords: Ab initio 5-site potentials, Ab initio interaction energy
Send my search to (beta)
Send your search query (search terms without filters) to other databases, portals and catalogues to find more interesting hits.
Dimensions:
full data search
or
title and abstract search
Dimensions is a database for abstracts and citations that links information on research funding with the resulting publications, studies and patents.
TIB AV portal
In the TIB AV-Portal, audiovisual media from science and teaching can be foundand own scientific videos can be published.
Specialised Information Service for Mobility and Transport Research (FID move)
Open Research Knowledge Graph (ORKG)
The FID move can be used to search for subject-specific literature, research data and other information from mobility and transport research.
The Open Research Knowledge Graph provides structured descriptions of research content and makes it comparable.
Common Union Catalogue (GVK)
Freely accessible part of the collaborative K10plus catalogue with materials relevant for interlibrary loan and direct delivery services.