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J

J. Patrick Zobel

lund university

18H指数
47论文数
2.4K被引数
收录论文 17
发表时间
Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer
err2024-04-10
err2
errOAAI
errFranz, Julia; Oelschlegel, Manuel; Zobel, J. Patrick; Hua, Shao-An; Borter, Jan-Hendrik; Schmid, Lucius; Morselli, Giacomo; Wenger, Oliver S.; Schwarzer, Dirk; Meyer, Franc; Gonzalez, Leticia
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational ChemistryOpenMolcas Web: 一种社区驱动的推进计算化学的方法
err2023-05-22
err127
errOAAI
errManni, Giovanni Li; Galvan, Ignacio Fdez.; Alavi, Ali; Aleotti, Flavia; Aquilante, Francesco; Autschbach, Jochen; Avagliano, Davide; Baiardi, Alberto; Bao, Jie J.; Battaglia, Stefano; Birnoschi, Letitia; Blanco-Gonzalez, Alejandro; Bokarev, Sergey I.; Broer, Ria; Cacciari, Roberto; Calio, Paul B.; Carlson, Rebecca K.; Couto, Rafael Carvalho; Cerdan, Luis; Chibotaru, Liviu F.; Chilton, Nicholas F.; Church, Jonathan Richard; Conti, Irene; Coriani, Sonia; Cuellar-Zuquin, Juliana; Daoud, Razan E.; Dattani, Nike; Decleva, Piero; de Graaf, Coen; Delcey, Mickael G.; De Vico, Luca; Dobrautz, Werner; Dong, Sijia S.; Feng, Rulin; Ferre, Nicolas; Filatov (Gulak), Michael; Gagliardi, Laura; Garavelli, Marco; Gonzalez, Leticia; Guan, Yafu; Guo, Meiyuan; Hennefarth, Matthew R.; Hermes, Matthew R.; Hoyer, Chad E.; Huix-Rotllant, Miquel; Jaiswal, Vishal Kumar; Kaiser, Andy; Kaliakin, Danil S.; Khamesian, Marjan; King, Daniel S.; Kochetov, Vladislav; Krosnicki, Marek; Kumaar, Arpit Arun; Larsson, Ernst D.; Lehtola, Susi; Lepetit, Marie-Bernadette; Lischka, Hans; Rios, Pablo Lopez; Lundberg, Marcus; Ma, Dongxia; Mai, Sebastian; Marquetand, Philipp; Merritt, Isabella C. D.; Montorsi, Francesco; Morchen, Maximilian; Nenov, Artur; Vu Ha Anh Nguyen; Nishimoto, Yoshio; Oakley, Meagan S.; Olivucci, Massimo; Oppel, Markus; Padula, Daniele; Pandharkar, Riddhish; Quan Manh Phung; Plasser, Felix; Raggi, Gerardo; Rebolini, Elisa; Reiher, Markus; Rivalta, Ivan; Roca-Sanjuan, Daniel; Romig, Thies; Safari, Arta Anushirwan; Sanchez-Mansilla, Aitor; Sand, Andrew M.; Schapiro, Igor; Scott, Thais R.; Segarra-Marti, Javier; Segatta, Francesco; Sergentu, Dumitru-Claudiu; Sharma, Prachi; Shepard, Ron; Shu, Yinan; Staab, Jakob K.; Straatsma, Tjerk P.; Sorensen, Lasse Kragh; Tenorio, Bruno Nunes Cabral; Truhlar, Donald G.; Ungur, Liviu; Vacher, Morgane; Veryazov, Valera; Voss, Torben Arne; Weser, Oskar; Wu, Dihua; Yang, Xuchun; Yarkony, David; Zhou, Chen; Zobel, J. Patrick; Lindh, Roland
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Photodynamics of the Molecular Ruby [Cr(ddpd)2]3+
err2023-02-09
err6
errOAAI
errZobel, J. Patrick; Radatz, Hanna; Gonzalez, Leticia
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Can range-separated functionals be optimally tuned to predict spectra and excited state dynamics in photoactive iron complexes?
err2023-01-01
err11
errOAAI
errZobel, J. Patrick; Kruse, Ayla; Baig, Omar; Lochbrunner, Stefan; Bokarev, Sergey I. I.; Kuehn, Oliver; Gonzalez, Leticia; Bokareva, Olga S. S.
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peri-Acenoacene Ribbons with Zigzag BN-Doped Peripheries
err2022-11-17
err24
errOAAI
errFranceschini, Marco; Crosta, Martina; Ferreira, Ruben R.; Poletto, Daniele; Demitri, Nicola; Zobel, J. Patrick; Gonzalez, Leticia; Bonifazi, Davide
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Surface Hopping Dynamics on Vibronic Coupling Models
err2021-09-27
err38
errOAAI
errZobel, J. Patrick; Heindl, Moritz; Plasser, Felix; Mai, Sebastian; Gonzalez, Leticia
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The ANO-R Basis Set (vol 16, pg 278, 2020)
err2021-04-20
err15
errOAAI
errZobel, J. Patrick; Widmark, Per-Olof; Veryazov, Valera
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Intersystem Crossing and Triplet Dynamics in an Iron(II) N-Heterocyclic Carbene Photosensitizer铁 (II) N-杂环卡宾光敏剂中的系统间交叉和三重态动力学
err2020-09-01
err23
errOAAI
errZobel, J. Patrick; Bokareva, Olga S.; Zimmer, Peter; Woelper, Christoph; Bauer, Matthias; Gonzalez, Leticia
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The ANO-R Basis Set
err2019-11-18
err40
PREAI
errZobel, J. Patrick; Widmark, Per-Olof; Veryazov, Valera
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OpenMolcas: From Source Code to Insight
err2019-09-11
err806
errOAAI
errGalvan, Ignacio Fdez; Vacher, Morgane; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen; Bao, Jie J.; Bokarev, Sergey I.; Bogdanov, Nikolay A.; Carlson, Rebecca K.; Chibotaru, Liviu F.; Creutzberg, Joel; Dattani, Nike; Delcey, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
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New compact density matrix averaged ANO basis sets for relativistic calculations
err2018-11-19
err9
PREAI
errWidmark, Per-Olof; Zobel, J. Patrick; Vysotskiy, Victor P.; Tsuchiya, Takashi; Veryazov, Valera
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Mechanism of Ultrafast Intersystem Crossing in 2-Nitronaphthalene
err2018-03-08
err52
errOAAI
errZobel, J. Patrick; Nogueira, Juan J.; Gonzalez, Leticia
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The IPEA dilemma in CASPT2
err2017-01-01
err204
errOAAI
errZobel, J. Patrick; Nogueira, Juan J.; Gonzalez, Leticia
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