Year of publication
Type of media
Subject
Type of material
Licence
Language
1–20 of 28 hits
Sort by:
Sort by:
-
Force-field and quantum-mechanical binding study of selected SAMPL3 host-guest complexes
Online Contents | 2012| -
Force-field and quantum-mechanical binding study of selected SAMPL3 host-guest complexes
Springer Verlag | 2012| -
Force-field and quantum-mechanical binding study of selected SAMPL3 host-guest complexes
Online Contents | 2012| -
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry - Photodissociation of HOBr. I. Ab initio potential energy surfaces for the three lowest electronic states and calculation of rotational-vibrational energy levels and wave functions
Online Contents | 1999| -
Importance of Dispersion and Electron Correlation in ab Initio Protein Folding
American Chemical Society | 2009| -
New Versions of Approximately Extensive Corrected Multireference Configuration Interaction Methods
Online Contents | 1996| -
Accurate Benchmark Calculations on the Gas-Phase Basicities of Small Molecules
American Chemical Society | 2009| -
New Versions of Approximately Extensive Corrected Multireference Configuration Interaction Methods †
National licenceAmerican Chemical Society | 1996| -
Assessing the Conformational Equilibrium of Carboxylic Acid via Quantum Mechanical and Molecular Dynamics Studies on Acetic Acid
American Chemical Society | 2019| -
Parallel Density Functional Theory Energies using the Fourier Transform Coulomb Method †
American Chemical Society | 2004| -
Efficient computation of the exchange-correlation contribution in the density functional theory through multiresolution
National licenceAmerican Institute of Physics | 2006| -
Erratum: “Efficient computation of the exchange-correlation contribution in the density functional theory through multiresolution” [J. Chem. Phys. 124, 094109 (2006)]
Free accessAmerican Institute of Physics | 2006| -
Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)
American Chemical Society | 2010| -
Interpolation density values on a cartesian grid: Improving the efficiency of Lebedev based numerical integration in Kohn–Sham density functional algorithms
Online Contents | 2006|Contributors: Füsti-Molnár, Lászlo
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.