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⇦ Lehr- und Forschungsgebiet Physikalische Chemie   ⇧ RWTH Aachen ⇧

Recent Publications

All known publications ...
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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article/Contribution to a book Goel, R. ; Kumar, V. ; Vehale, S. ; Scott, T. C. (Corresponding author)RWTH*
Some results on cumulative residual inaccuracy measure of k-record values
Entropy : an international and interdisciplinary journal of entropy and information studies 28(1), 17 (2026) [10.3390/e28010017] special issue: "Insight into Entropy / Special Issue Editors: Prof. Dr. Broadbridge, Guest Editor; Dr. Tony C. Scott, Guest Editor"2026     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Della Pia, F. ; Shi, B. X. ; Al-Hamdani, Y. S. ; Alfé, D. ; Anderson, T. A. ; Barborini, M. ; Benali, A. ; Casula, M. ; Drummond, N. D. ; Dubecký, M. ; Filippi, C. ; Kent, P. R. C. ; Krogel, J. T. ; López Ríos, P. ; Lüchow, A.RWTH* ; Luo, Y. ; Michaelides, A. ; Mitas, L. ; Nakano, K. ; Needs, R. J. ; Per, M. C. ; Scemama, A. ; Schultze, J.RWTH* ; Shinde, R. ; Slootman, E. ; Sorella, S. ; Tkatchenko, A. ; Towler, M. ; Umrigar, C. J. ; Wagner, L. K. ; Wheeler, W. A. ; Zhou, H. ; Zen, A. (Corresponding author)
Reproducibility of fixed-node diffusion Monte Carlo across diverse community codes: The case of water–methane dimer
The journal of chemical physics 163(10), 104110 (2025) [10.1063/5.0272974]2025   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Heinz, M. V. ; Lüchow, A. (Corresponding author)RWTH*
Questioning the Central Bond in [1.1.1]Propellane: Insights from Probability Density Analysis
The journal of physical chemistry / A 129(39), 8973-8981 (2025) [10.1021/acs.jpca.5c03794]2025   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Scott, T. C. (Corresponding author)RWTH*
Comment on “Long-range asymptotics of exchange energy in the hydrogen molecule” [J. Chem. Phys. 152, 174308 (2020)]
The Journal of Chemical Physics 162(5), 057101 (2025) [10.1063/5.0239295]2025   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Heinz, M. V.RWTH* ; Gorgas, E.RWTH* ; Maser, N.RWTH* ; Lüchow, A. (Corresponding author)RWTH*
Probability Density Analysis Reveals Substantial Differences Between the Dinitrogen and Acetylene Triple Bonds
Journal of computational chemistry 46(4), e70037 (2025) [10.1002/jcc.70037]2025     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Buttkus-Barth, M. ; Nguyen, T. H. (Corresponding author) ; Brannys, G.RWTH* ; Lüchow, A.RWTH* ; Nguyen, H. V. L. (Corresponding author)
Surprising torsional barrier reduction in the coupled methyl internal rotations of 2,3-dimethylfuran observed by microwave spectroscopy
Physical chemistry, chemical physics : PCCP 26(44), 28002-28009 (2024) [10.1039/D4CP03338H]2024   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dissertation / PhD Thesis Schütt, J.RWTH* ; Neitzel-Grieshammer, S. P. (Thesis advisor) ; Lüchow, A. (Thesis advisor)RWTH* ; Martin, M. (Thesis advisor)RWTH*
The origins of high sodium ion conductivity in NaSICON-type materials: a computational investigation of structural and transport properties
Aachen : RWTH Aachen University 1 Online-Ressource : Illustrationen (2024) [10.18154/RWTH-2024-10206]2024 = Dissertation, RWTH Aachen University, 2024     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Heinz, M. V.RWTH* ; Reuter, L.RWTH* ; Lüchow, A. (Corresponding author)RWTH*
Identifying a real space measure of charge-shift bonding with probability density analysis
Chemical science 15(23), 8820-8827 (2024) [10.1039/D4SC01674B]2024     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dissertation / PhD Thesis Reuter, L.RWTH* ; Lüchow, A. (Thesis advisor)RWTH* ; Bannwarth, C. N. (Thesis advisor)RWTH*
Probability density analysis: a real space valence bond theory
Aachen : RWTH Aachen University 1 Online-Ressource : Illustrationen (2023) [10.18154/RWTH-2024-02189]2023 = Dissertation, RWTH Aachen University, 2023     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kröckert, K. W.RWTH* ; Garg, F.RWTH* ; Heck, J.RWTH* ; Heinz, M. V.RWTH* ; Lange, J.RWTH* ; Schmidt, R.RWTH* ; Hoffmann, A.RWTH* ; Herres-Pawlis, S. (Corresponding author)RWTH*
ATRP catalysts of tetradentate guanidine ligands – do guanidine donors induce a faster atom transfer?
Dalton transactions 53(7), 2973-2990 (2024) [10.1039/D3DT03392A]2024     Files BibTeX | EndNote: XML, Text | RIS

All known publications ...
Download: BibTeX | EndNote XML,  Text | RIS |