المؤلفون: Holzer, Christof, Franzke, Yannick J.

المصدر: J. Chem. Theory Comput. 2025, 21, 202-217

مصطلحات موضوعية: Physics - Chemical Physics

URL الوصول: http://arxiv.org/abs/2407.21727

المؤلفون: Franzke, Yannick J., Holzer, Christof

المصدر: J. Chem. Phys. 160, 184101 (2024)

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Materials Science

URL الوصول: http://arxiv.org/abs/2403.14420

المؤلفون: Franzke, Yannick J., Schosser, Werner M., Pauly, Fabian

المصدر: Phys. Rev. B 109, 165144 (2024)

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science, Physics - Computational Physics

URL الوصول: http://arxiv.org/abs/2305.03817

المؤلفون: Bruder, Florian, Weigend, Florian, Franzke, Yannick J.

المساهمون: Deutsche Forschungsgemeinschaft

المصدر: The Journal of Physical Chemistry A ; volume 128, issue 34, page 7298-7310 ; ISSN 1089-5639 1520-5215

الاتاحة: http://dx.doi.org/10.1021/acs.jpca.4c03794
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c03794

المؤلفون: Franzke, Yannick J., Schosser, Werner M., Pauly, Fabian

مصطلحات موضوعية: ddc:530

وصف الملف: application/pdf

Relation: https://doi.org/10.1103/physrevb.109.165144

الاتاحة: https://opus.bibliothek.uni-augsburg.de/opus4/frontdoor/index/index/docId/113486
https://nbn-resolving.org/urn:nbn:de:bvb:384-opus4-1134866
https://doi.org/10.1103/physrevb.109.165144
https://opus.bibliothek.uni-augsburg.de/opus4/files/113486/113486.pdf

المؤلفون: Franzke, Yannick J., Bruder, Florian, Gillhuber, Sebastian, Holzer, Christof, Weigend, Florian

المصدر: The Journal of Physical Chemistry A, 128 (3), 670–686 ; ISSN: 1089-5639, 1520-5215

مصطلحات موضوعية: ddc:530, Physics, info:eu-repo/classification/ddc/530

Relation: info:eu-repo/semantics/altIdentifier/wos/001151460700001; info:eu-repo/semantics/altIdentifier/issn/1089-5639; info:eu-repo/semantics/altIdentifier/issn/1520-5215; https://publikationen.bibliothek.kit.edu/1000167904

الاتاحة: https://publikationen.bibliothek.kit.edu/1000167904

المؤلفون: Holzer, Christof, Franzke, Yannick J.

المصدر: ChemPhysChem, 25 (13) ; ISSN: 1439-4235, 1439-7641

مصطلحات موضوعية: ddc:530, Physics, info:eu-repo/classification/ddc/530

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/001234719000001; info:eu-repo/semantics/altIdentifier/issn/1439-4235; info:eu-repo/semantics/altIdentifier/issn/1439-7641; https://publikationen.bibliothek.kit.edu/1000171562; https://publikationen.bibliothek.kit.edu/1000171562/153065175; https://doi.org/10.5445/IR/1000171562

الاتاحة: https://publikationen.bibliothek.kit.edu/1000171562
https://publikationen.bibliothek.kit.edu/1000171562/153065175
https://doi.org/10.5445/IR/1000171562

المؤلفون: Balasubramani, Sree Ganesh, Chen, Guo P, Coriani, Sonia, Diedenhofen, Michael, Frank, Marius S, Franzke, Yannick J, Furche, Filipp, Grotjahn, Robin, Harding, Michael E, Hättig, Christof, Hellweg, Arnim, Helmich-Paris, Benjamin, Holzer, Christof, Huniar, Uwe, Kaupp, Martin, Khah, Alireza Marefat, Khani, Sarah Karbalaei, Müller, Thomas, Mack, Fabian, Nguyen, Brian D, Parker, Shane M, Perlt, Eva, Rappoport, Dmitrij, Reiter, Kevin, Roy, Saswata, Rückert, Matthias, Schmitz, Gunnar, Sierka, Marek, Tapavicza, Enrico, Tew, David P, van Wüllen, Christoph, Voora, Vamsee K, Weigend, Florian, Wodyński, Artur, Yu, Jason M

المصدر: The Journal of Chemical Physics. 152(18)

مصطلحات موضوعية: Physical Sciences, Chemical Sciences, Engineering, Chemical Physics

وصف الملف: application/pdf

URL الوصول: https://escholarship.org/uc/item/7h59p29k
https://escholarship.org/content/qt7h59p29k/qt7h59p29k.pdf

المؤلفون: Holzer, Christof, Franzke, Yannick J.

المصدر: Journal of Chemical Theory and Computation, 21 (1), 202–217 ; ISSN: 1549-9618, 1549-9626

مصطلحات موضوعية: ddc:530, Physics, info:eu-repo/classification/ddc/530

Relation: info:eu-repo/semantics/altIdentifier/issn/1549-9618; info:eu-repo/semantics/altIdentifier/issn/1549-9626; https://publikationen.bibliothek.kit.edu/1000178223

الاتاحة: https://publikationen.bibliothek.kit.edu/1000178223

المؤلفون: Bruder, Florian¹ (AUTHOR), Franzke, Yannick J.¹ (AUTHOR) yannick.franzke@chemie.uni-marburg.de, Holzer, Christof² (AUTHOR), Weigend, Florian¹ (AUTHOR) florian.weigend@chemie.uni-marburg.de

المصدر: Journal of Chemical Physics. 11/21/2023, Vol. 159 Issue 19, p1-17. 17p.

مصطلحات موضوعية: *DENSITY functional theory, *PERTURBATION theory, *FUNCTIONALS

المؤلفون: Franzke, Yannick J.¹ (AUTHOR) yannick.franzke@chemie.uni-marburg.de, Holzer, Christof² (AUTHOR) christof.holzer@kit.edu

المصدر: Journal of Chemical Physics. 11/14/2023, Vol. 159 Issue 18, p1-19. 19p.

مصطلحات موضوعية: *SPIN-orbit interactions, *DENSITY functionals, *CHEMICAL shift (Nuclear magnetic resonance), *NUCLEAR magnetic resonance, *FINITE nuclei, *UNITARY transformations, *NUCLEAR magnetic resonance spectroscopy

المؤلفون: Peerless, Benjamin, Schmidt, Andreas, Franzke, Yannick J. J., Dehnen, Stefanie

المصدر: Nature Chemistry, 15 (3), 347–356 ; ISSN: 1755-4330, 1755-4349

مصطلحات موضوعية: Chemical bonding, Density functional theory, Organometallic chemistry, Quantum chemistry, ddc:600, Technology, info:eu-repo/classification/ddc/600

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000903191800001; info:eu-repo/semantics/altIdentifier/issn/1755-4330; info:eu-repo/semantics/altIdentifier/issn/1755-4349; https://publikationen.bibliothek.kit.edu/1000155363; https://publikationen.bibliothek.kit.edu/1000155363/150161614; https://doi.org/10.5445/IR/1000155363

الاتاحة: https://publikationen.bibliothek.kit.edu/1000155363
https://publikationen.bibliothek.kit.edu/1000155363/150161614
https://doi.org/10.5445/IR/1000155363

المؤلفون: Franzke, Yannick J., Holzer, Christof H., Andersen, Josefine H., Begušić, Tomislav, Bruder, Florian, Coriani, Sonia, Della Sala, Fabio, Fabiano, Eduardo, Fedotov, Daniil A., Fürst, Susanne, Gillhuber, Sebastian, Grotjahn, Robin, Kaupp, Martin, Kehry, Max, Krstić, Marjan, Mack, Fabian, Majumdar, Sourav, Nguyen, Brian D., Parker, Shane M., Pauly, Fabian, Pausch, Ansgar, Perlt, Eva, Phun, Gabriel S., Rajabi, Ahmadreza, Rappoport, Dmitrij, Samal, Bibek, Schrader, Tim, Sharma, Manas, Tapavicza, Enrico, Treß, Robert S., Voora, Vamsee, Wodyński, Artur, Yu, Jason M., Zerulla, Benedikt, Furche, Filipp, Hättig, Christof, Sierka, Marek, Tew, David P., Weigend, Florian

المصدر: Journal of Chemical Theory and Computation, 19 (20), 6859–6890 ; ISSN: 1549-9618, 1549-9626

مصطلحات موضوعية: Chemical calculations, Electrical properties, Energy, Magnetic properties, Organic compounds, ddc:540, Chemistry & allied sciences, info:eu-repo/classification/ddc/540

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/001021324700001; info:eu-repo/semantics/altIdentifier/issn/1549-9618; info:eu-repo/semantics/altIdentifier/issn/1549-9626; https://publikationen.bibliothek.kit.edu/1000162255; https://publikationen.bibliothek.kit.edu/1000162255/151337231; https://doi.org/10.5445/IR/1000162255

الاتاحة: https://publikationen.bibliothek.kit.edu/1000162255
https://publikationen.bibliothek.kit.edu/1000162255/151337231
https://doi.org/10.5445/IR/1000162255

المؤلفون: Krätschmer, Frederic, Sun, Xiaofei, Gillhuber, Sebastian, Kucher, Hannes, Franzke, Yannick J., Weigend, Florian, Roesky, Peter W.

المصدر: Chemistry – A European Journal, 29 (27), Art.Nr.: e202203583 ; ISSN: 0947-6539, 1521-3765

مصطلحات موضوعية: ddc:540, Chemistry & allied sciences, info:eu-repo/classification/ddc/540

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000928794700001; info:eu-repo/semantics/altIdentifier/issn/0947-6539; info:eu-repo/semantics/altIdentifier/issn/1521-3765; https://publikationen.bibliothek.kit.edu/1000155979; https://publikationen.bibliothek.kit.edu/1000155979/150346965; https://doi.org/10.5445/IR/1000155979

الاتاحة: https://publikationen.bibliothek.kit.edu/1000155979
https://publikationen.bibliothek.kit.edu/1000155979/150346965
https://doi.org/10.5445/IR/1000155979

المؤلفون: Franzke, Yannick J., Holzer, Christof, Andersen, Josefine H., Begušić, Tomislav, Bruder, Florian, Coriani, Sonia, Della Sala, Fabio, Fabiano, Eduardo, Fedotov, Daniil A., Fürst, Susanne, Gillhuber, Sebastian, Grotjahn, Robin, Kaupp, Martin, Kehry, Max, Krstić, Marjan, Mack, Fabian, Majumdar, Sourav, Nguyen, Brian D., Parker, Shane M., Pauly, Fabian, Pausch, Ansgar, Perlt, Eva, Phun, Gabriel S., Rajabi, Ahmadreza, Rappoport, Dmitrij, Samal, Bibek, Schrader, Tim, Sharma, Manas, Tapavicza, Enrico, Treß, Robert S., Voora, Vamsee, Wodyński, Artur, Yu, Jason M., Zerulla, Benedikt, Furche, Filipp, Hättig, Christof, Sierka, Marek, Tew, David P., Weigend, Florian

المصدر: Franzke , Y J , Holzer , C , Andersen , J H , Begušić , T , Bruder , F , Coriani , S , Della Sala , F , Fabiano , E , Fedotov , D A , Fürst , S , Gillhuber , S , Grotjahn , R , Kaupp , M , Kehry , M , Krstić , M , Mack , F , Majumdar , S , Nguyen , B D , Parker , S M , Pauly , F , Pausch , A , Perlt , E , Phun , G S , ....

وصف الملف: application/pdf

Relation: https://orbit.dtu.dk/en/publications/a5c86117-be4c-484a-9cc9-fbc799461c0c

الاتاحة: https://orbit.dtu.dk/en/publications/a5c86117-be4c-484a-9cc9-fbc799461c0c
https://doi.org/10.1021/acs.jctc.3c00347
https://backend.orbit.dtu.dk/ws/files/329150997/acs.jctc.3c00347.pdf

المؤلفون: Franzke, Yannick J., Schosser, Werner M., Pauly, Fabian

مصطلحات موضوعية: Physics - Chemical Physics, Condensed Matter - Mesoscale and Nanoscale Physics, Condensed Matter - Materials Science, Physics - Computational Physics

Relation: http://arxiv.org/abs/2305.03817

الاتاحة: http://arxiv.org/abs/2305.03817

المؤلفون: Franzke, Yannick J., Holzer, Christof

المصدر: The Journal of Chemical Physics, 157 (3), Art.Nr. 031102 ; ISSN: 0021-9606, 1089-7690

مصطلحات موضوعية: ddc:530, Physics, info:eu-repo/classification/ddc/530

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000838221900006; info:eu-repo/semantics/altIdentifier/issn/0021-9606; info:eu-repo/semantics/altIdentifier/issn/1089-7690; https://publikationen.bibliothek.kit.edu/1000150333; https://publikationen.bibliothek.kit.edu/1000150333/149243379; https://doi.org/10.5445/IR/1000150333

الاتاحة: https://publikationen.bibliothek.kit.edu/1000150333
https://publikationen.bibliothek.kit.edu/1000150333/149243379
https://doi.org/10.5445/IR/1000150333

المؤلفون: Holzer, Christof, Franzke, Yannick J.

المصدر: The Journal of Chemical Physics, 157 (3), Art.Nr. 034108 ; ISSN: 0021-9606, 1089-7690

مصطلحات موضوعية: ddc:530, Physics, info:eu-repo/classification/ddc/530

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/wos/000829728200002; info:eu-repo/semantics/altIdentifier/issn/0021-9606; info:eu-repo/semantics/altIdentifier/issn/1089-7690; https://publikationen.bibliothek.kit.edu/1000150417; https://publikationen.bibliothek.kit.edu/1000150417/149254750; https://doi.org/10.5445/IR/1000150417

الاتاحة: https://publikationen.bibliothek.kit.edu/1000150417
https://publikationen.bibliothek.kit.edu/1000150417/149254750
https://doi.org/10.5445/IR/1000150417

المؤلفون: Peerless, Benjamin, Schmidt, Andreas, Franzke, Yannick J., Dehnen, Stefanie

المساهمون: Deutsche Forschungsgemeinschaft

المصدر: Nature Chemistry ; volume 15, issue 3, page 347-356 ; ISSN 1755-4330 1755-4349

الاتاحة: http://dx.doi.org/10.1038/s41557-022-01099-5
https://www.nature.com/articles/s41557-022-01099-5.pdf
https://www.nature.com/articles/s41557-022-01099-5

المؤلفون: Holzer, Christof¹ (AUTHOR) christof.holzer@kit.edu, Franzke, Yannick J.² (AUTHOR) yannick.franzke@chemie.uni-marburg.de, Pausch, Ansgar³ (AUTHOR)

المصدر: Journal of Chemical Physics. 11/28/2022, Vol. 157 Issue 20, p1-16. 16p.

مصطلحات موضوعية: *SPIN-spin coupling constants, *ELECTRON paramagnetic resonance, *SPIN-orbit interactions, *NUCLEAR magnetic resonance spectroscopy, *NUCLEAR magnetic resonance, *HYPERFINE structure