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Synonyms were used for: Atomphysik
Search without synonyms: keywords:(Atomphysik)
Used synonyms:
- atomforschung
- atomic physics
- atoms
-
Aza‐Michael Addition in Explicit Solvent: A Relative Energy Gradient–Interacting Quantum Atoms Study
Wiley | 2023|Keywords: Interacting quantum atoms, quantum theory of atoms-in-molecules -
The effects of higher orders of perturbation theory on the correlation energy of atoms and bonds in molecules
Wiley | 2018|Keywords: interacting quantum atoms -
Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study
Wiley | 2019|Keywords: interacting quantum atoms -
The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging
Free accessOnline Contents | 2016|Keywords: Quantum theory of atoms in molecules (QTAIM), Interacting quantum atoms (IQA) -
A Re‐evaluation of Factors Controlling the Nature of Complementary Hydrogen‐Bonded Networks
Wiley | 2019|Keywords: interacting quantum atoms -
Geometrically faithful homeomorphisms between the electron density and the bare nuclear potential
Wiley | 2009|Keywords: atoms in molecules -
The Transferability of Topologically Partitioned Electron Correlation Energies in Water Clusters
Wiley | 2017|Keywords: interacting quantum atoms -
Rhorix: An interface between quantum chemical topology and the 3D graphics program blender
Wiley | 2017|Keywords: quantum theory of atoms in molecules -
Cover Feature: Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study (ChemPhysChem 15/2019)
Wiley | 2019|Keywords: interacting quantum atoms -
Cover Feature: A Re‐evaluation of Factors Controlling the Nature of Complementary Hydrogen‐Bonded Networks (ChemPhysChem 4/2019)
Wiley | 2019|Keywords: interacting quantum atoms -
Cover Feature: The Transferability of Topologically Partitioned Electron Correlation Energies in Water Clusters (ChemPhysChem 23/2017)
Wiley | 2017|Keywords: interacting quantum atoms -
Long range behavior of high‐rank topological multipole moments
Wiley | 2007|Keywords: atoms in molecules -
Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia
Wiley | 2022|Keywords: interacting quantum atoms -
Front Cover: Binding Energy Partition of Promising IRAK‐4 Inhibitor (Zimlovisertib) for the Treatment of COVID‐19 Pneumonia (ChemPhysChem 24/2022)
Wiley | 2022|Keywords: interacting quantum atoms -
Prediction of conformationally dependent atomic multipole moments in carbohydrates
Wiley | 2015|Keywords: quantum theory of atoms in molecules -
Contributions of IQA electron correlation in understanding the chemical bond and non-covalent interactions
Free accessOnline Contents | 2020|Keywords: Interacting quantum atoms -
The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging
Free accessSpringer Verlag | 2016|Keywords: Interacting quantum atoms (IQA), Quantum theory of atoms in molecules (QTAIM) -
Realistic sampling of amino acid geometries for a multipolar polarizable force field
Wiley | 2015|Keywords: quantum theory of atoms in molecules -
Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy?
Free accessWiley | 2019|Keywords: interacting quantum atoms (IQA) -
MP2-IQA: upscaling the analysis of topologically partitioned electron correlation
Free accessOnline Contents | 2018|Keywords: Interacting quantum atoms (IQA) -
Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment
Wiley | 2009|Keywords: atoms in molecules -
QCTFF: On the construction of a novel protein force field
Wiley | 2015|Keywords: quantum theory of atoms in molecules -
Predictive QSPR modeling of the acidic dissociation constant (pKa) of phenols in different solvents
Wiley | 2009|Keywords: atoms in molecules -
Polarisable multipolar electrostatics from the machine learning method Kriging: an application to alanine
Online Contents | 2012|Keywords: Atoms in molecules -
A Comparison of the Interacting Quantum Atoms (IQA) Analysis of the Two‐Particle Density‐Matrices of MP4SDQ and CCSD
Wiley | 2020|Keywords: Interacting Quantum Atoms (IQA) analysis -
Front Cover: Does the Intra‐Atomic Deformation Energy of Interacting Quantum Atoms Represent Steric Energy? (ChemistryOpen 5/2019)
Free accessWiley | 2019|Keywords: interacting quantum atoms (IQA) -
The prediction of atomic kinetic energies from coordinates of surrounding atoms using kriging machine learning
Online Contents | 2014|Keywords: Quantum theory of atoms in molecules (QTAIM) -
Polarisable multipolar electrostatics from the machine learning method Kriging: an application to alanine
Springer Verlag | 2012|Keywords: Atoms in molecules -
Quantum Chemical Topology
Springer Verlag | 2016|Keywords: Quantum theory of atoms in molecules (QTAIM) -
Contributions of IQA electron correlation in understanding the chemical bond and non-covalent interactions
Free accessSpringer Verlag | 2020|Keywords: Interacting quantum atoms -
MP2-IQA: upscaling the analysis of topologically partitioned electron correlation
Free accessSpringer Verlag | 2018|Keywords: Interacting quantum atoms (IQA) -
The prediction of atomic kinetic energies from coordinates of surrounding atoms using kriging machine learning
Springer Verlag | 2014|Keywords: Quantum theory of atoms in molecules (QTAIM) -
Non-covalent interactions from a Quantum Chemical Topology perspective
Free accessOnline Contents | 2022|Keywords: Interacting Quantum Atoms (IQA) -
IQA analysis of the two-particle density matrix: chemical insight and computational efficiency
Free accessSpringer Verlag | 2023|Keywords: Interacting quantum atoms (IQA) -
Characterising Heterocyclic Rings Through Quantum Chemical Topology
Springer Verlag | 2014|Keywords: Quantum theory of atoms in molecules -
Topological Atom–Atom Partitioning of Molecular Exchange Energy and its Multipolar Convergence
Wiley | 2007|Keywords: atoms in molecules -
Quantum Chemical Topology: on Bonds and Potentials
National licenceSpringer Verlag | 2005|Keywords: Atoms in molecules -
Non-covalent interactions from a Quantum Chemical Topology perspective
Free accessSpringer Verlag | 2022|Keywords: Interacting Quantum Atoms (IQA)
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