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Synonyms were used for: Atomphysik
Search without synonyms: keywords:(Atomphysik)
Used synonyms:
- atomforschung
- atomic physics
- atoms
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Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methods
Online Contents | 2017|Keywords: Atoms in molecules -
Investigation of plausible mechanistic pathways in hydrogenation of $ η^{5} $-($ C_{5} $$ H_{5} $)2Ta(H)=$ CH_{2} $: an analysis using DFT and AIM techniques
Online Contents | 2014|Keywords: Atoms in molecules (AIM) -
Hydrogen-bonding interactions in adrenaline–water complexes: DFT and QTAIM studies of structures, properties, and topologies
Online Contents | 2012|Keywords: Quantum theory of atoms in molecules (QTAIM) -
How do halogen bonds (S–O⋯I, N–O⋯I and C–O⋯I) and halogen–halogen contacts (C–I⋯I–C, C–F⋯F–C) subsist in crystal structures? A quantum chemical insight
Online Contents | 2016|Keywords: Atoms in molecules (AIM) -
A theoretical study on the gas-phase protonation of pyridine and phosphinine derivatives
Online Contents | 2013|Keywords: Quantum theory of atoms-in-molecules -
Microsolvation effect and hydrogen-bonding pattern of taurine-water TA-($ H_{2} $O)n (n = 1–3) complexes
Online Contents | 2011|Keywords: Quantum theory of atoms in molecules -
Optimized intermolecular potential for nitriles based on Anisotropic United Atoms model
Online Contents | 2008|Keywords: Anisotropic united atoms model -
Hydrogen bonding interactions in noradrenaline-DMSO complexes: DFT and QTAIM studies of structure, properties and topology
Online Contents | 2011|Keywords: Quantum theory of atoms in molecules (QTAIM) -
Metal–metal interactions in linear tri-, penta-, hepta-, and nona-nuclear ruthenium string complexes
Online Contents | 2011|Keywords: Quantum theory of atoms in molecules -
N–H⋯O versus O–H⋯O: density functional calculation and first principle molecular dynamics study on a quinoline-2-carboxamide N-oxide
Free accessOnline Contents | 2015|Keywords: Atoms in molecules -
What is the hydrophobic interaction contribution to the stabilization of micro-hydrated complexes of trimethylamine oxide (TMAO)? A joint DFT-D, QTAIM, and MESP study
Online Contents | 2019|Keywords: Quantum theory of atoms in molecules (QTAIM) -
Conformational and electronic (AIM/NBO) study of unsubstituted A-type dimeric proanthocyanidin
Online Contents | 2008|Keywords: Atoms in molecules -
Theoretical investigation of anion perfluorocubane
Online Contents | 2023|Keywords: Quantum theory of atoms in molecules (QTAIM) -
Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer
Springer Verlag | 2005|Keywords: polar atoms -
Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study
Online Contents | 2018|Keywords: Quantum theory of atoms in molecules (QTAIM) -
Structural and electronic properties of Z isomers of (4α→6´´,2α→O→1´´)-phenylflavans substituted with R = H, OH and $ OCH_{3} $ calculated in aqueous solution with PCM solvation model
Online Contents | 2011|Keywords: Atoms in molecules -
Direct orange 26 dye environmental degradation: experimental studies (UV, mass, and thermal) in comparison with computational exploration hydrogen bonding analysis of TD-DFT calculations
Online Contents | 2021|Keywords: Bader’s atoms in molecule (AIM) -
Application of the Extended HOMED (Harmonic Oscillator Model of Aromaticity) Index to Simple and Tautomeric Five-Membered Heteroaromatic Cycles with C, N, O, P, and S Atoms
Free accessDOAJ | 2019|Keywords: effects of N and P atoms in furan and thiophene -
On the exponential model for energy with respect to number of electrons
Springer Verlag | 2012|Keywords: Energy of atoms
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