Year of publication
Type of material
Licence
1–20 of 3,898 hits
Sort by:
Sort by:
-
Influence of biomacromolecule DNA corrosion inhibitor on carbon steel
Elsevier | 2017|Keywords: Quantum chemical calculations -
autoCAS: A Program for Fully Automated Multiconfigurational Calculations
Wiley | 2019|Keywords: quantum chemical calculations -
Exploring the maze of cycloserine conformers in the gas phase guided by microwave spectroscopy and quantum chemistry
Free accessBASE | 2021|Keywords: Quantum-chemical Calculations -
Transformation of bromophenols by aqueous chlorination and exploration of main reaction mechanisms
Elsevier | 2020|Keywords: Quantum chemical calculations -
Morpholine and piperazine based carboxamide derivatives as corrosion inhibitors of mild steel in HCl medium
Elsevier | 2017|Keywords: Quantum chemical calculations -
The electronic structure and reflectivity of PEDOT:PSS from density functional theory
Elsevier | 2011|Keywords: Quantum-chemical calculations -
Synthesis and Chiroptical Properties of Hexa‐, Octa‐, and Deca‐azaborahelicenes: Influence of Helicene Size and of the Number of Boron Atoms
Wiley | 2017|Keywords: quantum-chemical calculations -
Approaching coupled cluster accuracy with a general-purpose neural network potential through transfer learning
Free accessChemRxiv | 2018|Keywords: quantum chemical calculations -
Ab initio study of molecular structures and excited states in anthocyanidins
Elsevier | 2006|Keywords: Quantum chemical calculations -
Study of Electronic, Optoelectronic and Photonic Properties of NBB Material in Solvent Environments
Online Contents | 2022|Keywords: quantum chemical calculations -
Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment
Wiley | 2013|Keywords: quantum‐chemical calculations -
Synthesis, cytotoxic activity and quantum chemical calculations of new 7-thioxopyrazolo[1,5-f]pyrimidin-2-one derivatives
Elsevier | 2019|Keywords: Quantum chemical calculations -
Study of Electronic, Optoelectronic and Photonic Properties of NBB Material in Solvent Environments
Free accessBASE | 2022|Keywords: quantum chemical calculations -
Carbazole derivatives: Synthesis, spectroscopic characterization, antioxidant activity, molecular docking study, and the quantum chemical calculations
Elsevier | 2021|Keywords: Quantum chemical calculations -
The inhibitive effect of some tetrazole derivatives towards Al corrosion in acid solution: Chemical, electrochemical and theoretical studies
Elsevier | 2008|Keywords: Quantum chemical calculations -
Synthesis and studies of new photochromic spiropyrans containing a formylcoumarin fragment
Online Contents | 2016|Keywords: quantum chemical calculations -
Synthesis and studies of new photochromic spiropyrans containing a formylcoumarin fragment
Online Contents | 2016|Keywords: quantum chemical calculations -
Insight into the anti-corrosion mechanism Veratrum root extract as a green corrosion inhibitor
Elsevier | 2021|Keywords: Quantum chemical calculations -
Phosphahelicenes: From Chiroptical and Photophysical Properties to OLED Applications
Wiley | 2019|Keywords: quantum chemical calculations -
Synthesis and structure of new 1-cyanoacetyl-4-arylsemicarbazide derivatives with potential anticancer activity
Elsevier | 2015|Keywords: Quantum chemical calculations
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.