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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 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. (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

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Dissertation / PhD Thesis Schultze, J.RWTH* ; Lüchow, A. (Thesis advisor)RWTH* ; Bannwarth, C. N. (Thesis advisor)RWTH*
Tackling multi-reference systems with quantum monte carlo methods
Aachen : RWTH Aachen University 1 Online-Ressource : Illustrationen (2023) [10.18154/RWTH-2023-11746]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 Sun, X. ; Yang, H. ; Wu, N. ; Scott, T. C.RWTH* ; Zhang, J. ; Zhang, W. (Corresponding author)
Snake net with a neural network for detecting multiple phases in the phase diagram
Physical review / E 107, 065303 (2023) [10.1103/PhysRevE.107.065303]2023   BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Szczuka, C. (Corresponding author) ; Eichel, R.-A.RWTH* ; Granwehr, J.RWTH*
Gauging the importance of structural parameters for hyperfine coupling constants in organic radicals
RSC Advances 13(21), 14565-14574 (2023) [10.1039/D3RA02476H]2023     Files BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Ludovicy, J.RWTH* ; Dahl, R.RWTH* ; Lüchow, A. (Corresponding author)RWTH*
Toward compact selected configuration interaction wave functions with quantum Monte Carlo─A case study of C 2
Journal of chemical theory and computation : JCTC 19(10), 2792-2803 (2023) [10.1021/acs.jctc.2c01229]2023   BibTeX | EndNote: XML, Text | RIS

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