المؤلفون: Tamás Rozgonyi, György Vankó, Mátyás Pápai

المصدر: Communications Chemistry, Vol 6, Iss 1, Pp 1-6 (2023)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2399-3669

URL الوصول: https://doaj.org/article/5deca06d366d4814a99a0269dc30f1cb

المؤلفون: Sophie E. Canton, Mykola Biednov, Mátyás Pápai, Frederico A. Lima, Tae‐Kyu Choi, Florian Otte, Yifeng Jiang, Paul Frankenberger, Martin Knoll, Peter Zalden, Wojciech Gawelda, Ahibur Rahaman, Klaus B. Møller, Christopher Milne, David J. Gosztola, Kaibo Zheng, Marius Retegan, Dmitry Khakhulin

المصدر: Advanced Science, Vol 10, Iss 21, Pp n/a-n/a (2023)

مصطلحات موضوعية: Jahn‐Teller effect, photoswitching, single‐ion‐magnets, XFEL science, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2198-3844

URL الوصول: https://doaj.org/article/aeb30e4407a84b8d80284e070fcf2809

المؤلفون: Valeriu Scutelnic, Shota Tsuru, Mátyás Pápai, Zheyue Yang, Michael Epshtein, Tian Xue, Eric Haugen, Yuki Kobayashi, Anna I. Krylov, Klaus B. Møller, Sonia Coriani, Stephen R. Leone

المصدر: Nature Communications, Vol 12, Iss 1, Pp 1-8 (2021)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/e298089c6d1247a986e5ca1f47b760ae

المؤلفون: Kristjan Kunnus, Morgane Vacher, Tobias C. B. Harlang, Kasper S. Kjær, Kristoffer Haldrup, Elisa Biasin, Tim B. van Driel, Mátyás Pápai, Pavel Chabera, Yizhu Liu, Hideyuki Tatsuno, Cornelia Timm, Erik Källman, Mickaël Delcey, Robert W. Hartsock, Marco E. Reinhard, Sergey Koroidov, Mads G. Laursen, Frederik B. Hansen, Peter Vester, Morten Christensen, Lise Sandberg, Zoltán Németh, Dorottya Sárosiné Szemes, Éva Bajnóczi, Roberto Alonso-Mori, James M. Glownia, Silke Nelson, Marcin Sikorski, Dimosthenis Sokaras, Henrik T. Lemke, Sophie E. Canton, Klaus B. Møller, Martin M. Nielsen, György Vankó, Kenneth Wärnmark, Villy Sundström, Petter Persson, Marcus Lundberg, Jens Uhlig, Kelly J. Gaffney

المصدر: Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/6b31a8a42e654935b702259eb2eae14d

المؤلفون: Shota Tsuru, Marta L. Vidal, Mátyás Pápai, Anna I. Krylov, Klaus B. Møller, Sonia Coriani

المصدر: Structural Dynamics, Vol 8, Iss 2, Pp 024101-024101-15 (2021)

مصطلحات موضوعية: Crystallography, QD901-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2329-7778

URL الوصول: https://doaj.org/article/c5e72fadba2b4eee8ff068048b4c67a8

المؤلفون: Xiaoyi Zhang, Mátyás Pápai, Klaus B. Møller, Jianxin Zhang, Sophie E. Canton

المصدر: Molecules, Vol 21, Iss 2, p 235 (2016)

مصطلحات موضوعية: X-ray transient absorption spectroscopy, excited-state, osmium polypyridyl complex, Organic chemistry, QD241-441

وصف الملف: electronic resource

Relation: http://www.mdpi.com/1420-3049/21/2/235; https://doaj.org/toc/1420-3049

URL الوصول: https://doaj.org/article/3b6cc651d0fd47abbe5959ad5c14da81

المؤلفون: Kende Attila Béres, Zoltán Homonnay, Libor Kvitek, Zsolt Dürvanger, Martina Kubikova, Veronika Harmat, Fanni Szilágyi, Zsuzsanna Czégény, Péter Németh, Laura Bereczki, Vladimir M. Petruševski, Mátyás Pápai, Attila Farkas, László Kótai

المصدر: Inorganic Chemistry. 61:14403-14418

مصطلحات موضوعية: Inorganic Chemistry, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b246a9abd19cc384e31449c6dd293fd9
https://doi.org/10.1021/acs.inorgchem.2c02265

المؤلفون: Mátyás Pápai

مصطلحات موضوعية: Condensed matter physics, Chemistry, Chemical physics, Characterization (materials science), Electronic states

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::35e6f5c293d39b4edb5aec72252bb7df
https://doi.org/10.15476/elte.2014.003

المؤلفون: Mátyás Pápai, Asmus Ougaard Dohn, Habiburrahman Zulfikri

المصدر: Physical Chemistry Chemical Physics. 24:16655-16670

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2ae884cdefc05353ace4159ffaf0b1b5
https://doi.org/10.1039/d2cp00892k

المؤلفون: Anna Kristina Schnack-Petersen, Mátyás Pápai, Sonia Coriani, Klaus Braagaard Møller

المصدر: Schnack-Petersen, A K, Pápai, M, Coriani, S & Møller, K B 2023, ' A theoretical study of the time-resolved x-ray absorption spectrum of the photoionized BT-1T cation ', Structural Dynamics, vol. 10, no. 3, 034102 . https://doi.org/10.1063/4.0000183

مصطلحات موضوعية: Radiation, Condensed Matter Physics, Instrumentation, Spectroscopy

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::177939533889e9dff7fc0a25d1f51192
https://orbit.dtu.dk/en/publications/18ba32a0-a88a-4541-b7c3-b7a537c4ca5c

المؤلفون: Peter, Vester, Katharina, Kubicek, Roberto, Alonso-Mori, Tadesse, Assefa, Elisa, Biasin, Morten, Christensen, Asmus O, Dohn, Tim B, van Driel, Andreas, Galler, Wojciech, Gawelda, Tobias C B, Harlang, Niels E, Henriksen, Kasper S, Kjær, Thomas S, Kuhlman, Zoltán, Németh, Zhangatay, Nurekeyev, Mátyás, Pápai, Jochen, Rittman, György, Vankó, Hasan, Yavas, Diana B, Zederkof, Uwe, Bergmann, Martin M, Nielsen, Klaus B, Møller, Kristoffer, Haldrup, Christian, Bressler

المصدر: The Journal of chemical physics. 157(22)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::8f5bbae3fac30bb51a7dab576857f24b
https://pubmed.ncbi.nlm.nih.gov/36546808

المؤلفون: Tamás Rozgonyi, György Vankó, Mátyás Pápai

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c593e9948fd27c36f22b22f2d2e5a170
https://doi.org/10.26434/chemrxiv-2022-nc1vt

المؤلفون: Habiburrahman, Zulfikri, Mátyás, Pápai, Asmus Ougaard, Dohn

المصدر: Physical chemistry chemical physics : PCCP. 24(27)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::a13aa9cc8b4d745830b7d16c4c882b1f
https://pubmed.ncbi.nlm.nih.gov/35766396

المؤلفون: Peter Vester, Katharina Kubicek, Roberto Alonso-Mori, Tadesse Assefa, Elisa Biasin, Morten Christensen, Asmus O. Dohn, Tim B. van Driel, Andreas Galler, Wojciech Gawelda, Tobias C. B. Harlang, Niels E. Henriksen, Kasper S. Kjær, Thomas S. Kuhlman, Zoltán Németh, Zhangatay Nurekeyev, Mátyás Pápai, Jochen Rittman, György Vankó, Hasan Yavas, Diana B. Zederkof, Uwe Bergmann, Martin M. Nielsen, Klaus B. Møller, Kristoffer Haldrup, Christian Bressler

المصدر: The Journal of Chemical Physics. 158:139903

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b027e8ab8ce378e99b01b8f4662e4bb1
https://doi.org/10.1063/5.0151289

المؤلفون: Mátyás Pápai

المصدر: Journal of chemical theory and computation. 18(3)

مصطلحات موضوعية: Physical and Theoretical Chemistry, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64555500ace21f473f6e50d8b0ae7ef5
https://pubmed.ncbi.nlm.nih.gov/35199532

المؤلفون: Peter Vester, Katharina Kubicek, Roberto Alonso-Mori, Tadesse Assefa, Elisa Biasin, Morten Christensen, Asmus O. Dohn, Tim B. van Driel, Andreas Galler, Wojciech Gawelda, Tobias C. B. Harlang, Niels E. Henriksen, Kasper S. Kjær, Thomas S. Kuhlman, Zoltán Németh, Zhangatay Nurekeyev, Mátyás Pápai, Jochen Rittman, György Vankó, Hasan Yavas, Diana B. Zederkof, Uwe Bergmann, Martin M. Nielsen, Klaus B. Møller, Kristoffer Haldrup, Christian Bressler

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a7b77f874022c99b09d9f1dfd6f0662
http://hdl.handle.net/20.500.12614/3223

المؤلفون: Klaus Braagaard Møller, Mátyás Pápai, Anna Kristina Schnack-Petersen

المصدر: Schnack-Petersen, A K, Pápai, M & Møller, K B 2022, ' Azobenzene photoisomerization dynamics : Revealing the key degrees of freedom and the long timescale of the trans-to-cis process ', Journal of Photochemistry and Photobiology, A: Chemistry, vol. 428, 113869 . https://doi.org/10.1016/j.jphotochem.2022.113869

مصطلحات موضوعية: Azobenzene, TDDFT, General Chemical Engineering, SHARC, General Physics and Astronomy, Surface hopping, General Chemistry, Molecular dynamics

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cbe44e96ab48ffc268d8f4af6303ba47
https://orbit.dtu.dk/en/publications/aaaa28ac-98c5-4949-99e0-58c8a25b4968

المؤلفون: Mátyás Pápai, Mogens Brøndsted Nielsen, Kurt V. Mikkelsen, Niels Engholm Henriksen, Klaus Braagaard Møller, Mostafa Abedi

المصدر: Abedi, M, Pápai, M, Henriksen, N E, Møller, K B, Nielsen, M B & Mikkelsen, K V 2019, ' Theoretical Investigation on the Control of Macrocyclic Dihydroazulene/Azobenzene Photoswitches ', Journal of Physical Chemistry C, vol. 123, no. 42, pp. 25579-25584 . https://doi.org/10.1021/acs.jpcc.9b06975
Abedi, M, Papai, M, Henriksen, N E, Moller, K B, Nielsen, M B & Mikkelsen, K V 2019, ' Theoretical Investigation on the Control of Macrocyclic Dihydroazulene/Azobenzene Photoswitches ', Journal of Physical Chemistry C, vol. 123, no. 42, pp. 25579-25584 . https://doi.org/10.1021/acs.jpcc.9b06975

مصطلحات موضوعية: Materials science, Absorption spectroscopy, Substituent, chemistry.chemical_element, Sorption, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials, chemistry.chemical_compound, Crystallography, General Energy, chemistry, Azobenzene, Halogen, Fluorine, Physical and Theoretical Chemistry, Absorption (chemistry), 0210 nano-technology, Excitation

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d66b3b5574fc8ebdba5ebf399d4c5594
https://doi.org/10.1021/acs.jpcc.9b06975

المؤلفون: Graham A. Worth, Klaus Braagaard Møller, Mátyás Pápai, Thomas J. Penfold

المصدر: Penfold, T J, Pápai, M, Møller, K B & Worth, G A 2019, ' Excited state dynamics initiated by an electromagnetic field within the Variational Multi-Configurational Gaussian (vMCG) method ', Computational and Theoretical Chemistry, vol. 1160, pp. 24-30 . https://doi.org/10.1016/j.comptc.2019.05.012

مصطلحات موضوعية: Electromagnetic field, 010304 chemical physics, Chemistry, Nonadiabatic, Quantum dynamics, Gaussian, Basis function, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Biochemistry, 0104 chemical sciences, symbols.namesake, Vibronic coupling, Nuclear dynamics, Excited state, 0103 physical sciences, symbols, External field, Statistical physics, Variational multi-configurational Gaussian method, Physical and Theoretical Chemistry

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a026c88f18dc472a2706492a625c97aa
https://doi.org/10.1016/j.comptc.2019.05.012

المؤلفون: Zheyue Yang, Anna I. Krylov, Eric A. Haugen, Sonia Coriani, Tian Xue, Shota Tsuru, Yuki Kobayashi, Mátyás Pápai, Michael Epshtein, Klaus Braagaard Møller, Valeriu Scutelnic, Stephen R. Leone

المصدر: Proceedings of the 2021 International Symposium on Molecular Spectroscopy.

مصطلحات موضوعية: chemistry.chemical_compound, X-ray transient, Materials science, Pyrazine, chemistry, Relaxation (physics), Atomic physics, Absorption (electromagnetic radiation)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9207135e0c8a34b0c9d08d62659f7a46
https://doi.org/10.15278/isms.2021.rj12