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Papers matching “quantum theory of atoms in molecules” 17

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Non-Covalent Forces in Naphthazarin—Cooperativity or Competition in the Light of Theoretical Approaches
2021 International Journal of Molecular Sciences article Chemistry Crystallography and molecular interactions Open access

Aneta Jezierska, Kacper Błaziak, Sebastian Klahm, Arne Lüchow, Jarosław Jan Panek

9

citations
On the connection between probability density analysis, QTAIM, and VB theory
2020 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies

Leonard Reuter, Arne Lüchow

30

citations
Decoding the Chemical Bond—On the Connection between Probability Density Analysis, QTAIM, and VB Theory
2020 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Leonard Reuter, Arne Lüchow

0

citations
Decoding the Chemical Bond—On the Connection between Probability Density Analysis, QTAIM, and VB Theory
2020 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Leonard Reuter, Arne Lüchow

0

citations
Decoding the Chemical Bond—On the Connection between Probability Density Analysis, QTAIM, and VB Theory
2020 ChemRxiv preprint Physics and Astronomy Advanced Chemical Physics Studies Open access

Leonard Reuter, Arne Lüchow

0

citations
Halogen bonds involving pentafluoroiodbenzene: Answers from experimental electron density
2020 conference-abstract Chemistry Crystallography and molecular interactions Open access

Franziska Busse, Ruimin Wang, Ulli Englert, Felix Otte, Carsten Strohmann

0

citations
Accelerating fundamental components of a quantum chemical multilevel workflow by means of GPU offloading
2026 RWTH Publications (RWTH Aachen) dissertation Physics and Astronomy Advanced Chemical Physics Studies Open access

Pit Steinbach

0

citations
Quantum-mechanical study of interaction between polycarbonate and M0.5Al0.5N(0 0 1) surfaces (M = Ti, V, Cr)
2020 Applied Surface Science article Materials Science Polymer Surface Interaction Studies Open access

Denis Mušić, Holger Rueß, Jochen M. Schneider

2

citations
Molecular square dancing in CO-CO collisions
2020 Science article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

Zhongfa Sun, Marc C. van Hemert, Jérôme Loreau, Ad van der Avoird, Arthur G. Suits, David H. Parker

25

citations
Ab Initio Investigation of Primary Fuel Reactions of Monoaromatic Hydrocarbons under Pyrolytic Conditions: Anisole, Phenetole, and the 2-, 3-, 4-Methylanisole Isomers
2025 The Journal of Physical Chemistry A article Chemical Engineering Advanced Combustion Engine Technologies

Karl Alexander Heufer, Malte Döntgen

4

citations
Generalization of Intrinsic Orbitals to Kramers-Paired Quaternion Spinors, Molecular Fragments, and Valence Virtual Spinors
2021 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

Bruno Senjean, Souloke Sen, Michal Repiský, Gerald Knizia, Lucas Visscher

39

citations
Hydrogen-Bonded and Halogen-Bonded: Orthogonal Interactions for the Chloride Anion of a Pyrazolium Salt
2021 Molecules article Chemistry Crystallography and molecular interactions Open access

Steven van Terwingen, Daniel Brüx, Ruimin Wang, Ulli Englert

12

citations
Reply to Comment on ‘Chemical bonding in phase-change chalcogenides’
2025 Journal of Physics Condensed Matter letter Materials Science Phase-change materials and chalcogenides Open access

Peter C. Müller, Stephen R. Elliott, Richard Dronskowski, R. Jones

3

citations
Gauging the Strength of the Molecular Halogen Bond via Experimental Electron Density and Spectroscopy
2023 ACS Omega article Chemistry Crystallography and molecular interactions Open access

Felix Otte, Johannes Kleinheider, Bastian Grabe, Wolf Hiller, Franziska Busse, Ruimin Wang, +4 more

13

citations
LOWERING THE TORSIONAL BARRIERS BY STERICAL HINDRANCE: MICROWAVE SPECTRUM OF THE THREE-TOP MOLECULE 2,6-DIMETHYLANISOLE
2021 International Symposium on Molecular Spectroscopy (ISMS) conference-paper Chemistry Molecular Spectroscopy and Structure Open access

Ha Vinh Lam Nguyen, Wolfgang Stahl, Joshua Spautz, Lynn Ferres

0

citations
Electron spin secluded inside a bottom-up assembled standing metal-molecule nanostructure
2023 Physical Review Research article Physics and Astronomy Quantum and electron transport phenomena Open access

Taner Esat, Markus Ternes, Ruslan Temirov, Frank Stefan Tautz

5

citations
Electron spin secluded inside a bottom-up assembled standing metal-molecule nanostructure
2023 JuSER (Forschungszentrum Jülich) preprint Physics and Astronomy Quantum and electron transport phenomena Open access

Taner Esat, Markus Ternes, Ruslan Temirov, Frank Stefan Tautz

0

citations

17 results