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S

Sebastian Mai

university of vienna

33H指数
131论文数
4.7K被引数
收录论文 56
发表时间
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Umbrella Sampling for Excited States Using a Semiempirical Method伞形采样用于半经验方法激发态的研究
errJACS Au
IF8.7
err2026-05-18
err0
errOAAI
errDóra Vörös; Hans Georg Gallmetzer; Johannes C. B. Dietschreit; Sebastian Mai; Leticia González
err分享
err收藏
Outside Front Cover: Oxidation State Determines Solvent Structure Around a Manganese–Vanadium Polyoxometalate Water-Oxidation Catalyst封面：氧化态决定锰-钒多金属氧酸盐水氧化催化剂周围溶剂结构
errAngewandte Chemie International Edition
IF16.9
err2026-05-08
err0
errOAAI
errSimon Tippner; Moritz Remmers; Sebastian Mai; Boris Mashtakov; Mihail Mondeshki; Carsten Streb; Leticia González
err分享
err收藏
Oxidation State Determines Solvent Structure Around a Manganese–Vanadium Polyoxometalate Water-Oxidation Catalyst氧化态决定锰-钒多金属氧酸盐水氧化催化剂周围溶剂结构
errAngewandte Chemie International Edition
IF16.9
err2026-04-16
err0
errOAAI
errSimon Tippner; Moritz Remmers; Sebastian Mai; Boris Mashtakov; Mihail Mondeshki; Carsten Streb; Leticia González
err分享
err收藏
Elucidating the Transition Kernel and Anharmonic Coupling in the Spin-crossover Process of a [FeIII(qsal)2] CH3OSO3 Complex阐明[FeIII(qsal)2] CH3OSO3配合物自旋交叉过程中的转移核与各向异性耦合
errAngewandte Chemie International Edition
IF16.9
err2026-04-01
err0
errOAAI
errSoumyajit Mitra; Dilara Farkhutdinova; Sebastian Mai; Stuart A. Hayes; Yifeng Jiang; Tadahiko Ishikawa; Kazuyuki Takahashi; Leticia González; R. J. Dwayne Miller
err分享
err收藏
Probing Optical Magnetic Dipole Transitions in Eu3+ Using Structured Light and Nanoscale Sample Engineering利用结构化光和纳米级样品工程探测Eu3+的光学磁偶极跃迁
errACS Photonics
IF6.7
err2025-11-06
err0
errOAAI
errElizaveta Gangrskaia; Thomas Schachinger; Christoph Eisenmenger-Sittner; Lorenz Grünewald; Sebastian Mai; Andrius Baltuška; Audrius Pugžlys; Alessandra Bellissimo
err分享
err收藏
Surface hopping simulations reveal deactivation pathways of a charge transfer system with planarizing and twisting motion表面 hopping 模拟揭示了具有平面化和扭转运动的电荷转移系统的失活途径
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
errOAAI
errJulia Haberhauer; Sebastian Mai; Leticia González; Christof Hättig
err分享
err收藏
BSE@GW-based protocol for spin-vibronic quantum dynamics using the linear vibronic coupling model. Formulation and application to an Fe(II) compound基于BSE@GW协议的线性振子耦合模型下自旋-振子量子动力学：公式推导及应用到一个Fe(II)化合物
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
errOAAI
errFlorian Bogdain; Sebastian Mai; Leticia González; Oliver Kühn
err分享
err收藏
Tautomer aspects in the excited-state dynamics in 2-thiocytosine: intersystem crossing in the absence of the thiocarbonyl group2-硫胞嘧啶激发态动力学中的互变异构方面：硫羰基基团缺失下的系间窜越
errChem. Sci.
IF7.4
err2025-07-25
err0
errOAAI
errBijay Duwal; Isabel Eder; Leticia González; Sebastian Mai; Susanne Ullrich
err分享
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Efficient Excitonic Configuration Interaction for Large-Scale Multichromophoric Systems Using the Resolution-of-Identity Approximation利用分辨率之身份近似的高效激子构型相互作用方法，用于大规模多发色团系统
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-03-10
err0
PREAI
errPitesa, Tomislav; Mai, Sebastian
err分享
err收藏
Parametrization of Linear Vibronic Coupling Models for Degenerate Electronic States线性 vibronic coupling 模型对简并电子状态的参数化
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-03-04
err1
errOAAI
errFarkhutdinova, Dilara; Polonius, Severin; Karrer, Paul; Mai, Sebastian
err分享
err收藏
Ultrafast solvent migration in an iron complex revealed by nonadiabatic dynamics simulations通过非绝热动力学模拟揭示的铁配合物中的超快溶剂迁移
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errPolonius, Severin; Gonzalez, Leticia; Mai, Sebastian
err分享
err收藏
Hydrogen bonding to the electron accepting group controls the absorption spectrum of a push-pull stilbene adsorbed on amorphous silica
errCOMMUNICATIONS PHYSICS
IF5.8
err2024-08-08
err0
errOAAI
errVoeroes, Dora; Proche, Felix; Gonzalez, Leticia; Mai, Sebastian
err分享
err收藏
Excitonic Configuration Interaction: Going Beyond the Frenkel Exciton Model激子构型相互作用: 超越Frenkel激子模型
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-17
err3
errOAAI
errPitesa, Tomislav; Polonius, Severin; Gonzalez, Leticia; Mai, Sebastian
err分享
err收藏
Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-20
err2
errOAAI
errPolonius, Severin; Lehrner, David; Gonzalez, Leticia; Mai, Sebastian
err分享
err收藏
Optical magnetic field enhancement using ultrafast azimuthally polarized laser beams and tailored metallic nanoantennas
errPHOTONICS RESEARCH
IF7.2
err2024-05-01
err1
errOAAI
errMartin-Hernandez, Rodrigo; Gruenewald, Lorenz; Sanchez-Tejerina, Luis; Plaja, Luis; Jarque, Enrique Conejero; Hernandez-Garcia, Carlos; Mai, Sebastian
err分享
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Interplay between protonation and Jahn-Teller effects in a manganese vanadium cubane water oxidation catalyst
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-02-27
err1
errOAAI
errTippner, Simon; Lechner, Patrick; Gonzalez, Leticia; Mai, Sebastian
err分享
err收藏
Adsorption of 4-(N,N-Dimethylamino)-4′-nitrostilbene on an Amorphous Silica Glass Surface
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-11-17
err2
errOAAI
errVoeroes, Dora; Angeletti, Andrea; Franchini, Cesare; Mai, Sebastian; Gonzalez, Leticia
err分享
err收藏
LVC/MM: A Hybrid Linear Vibronic Coupling/Molecular Mechanics Model with Distributed Multipole-Based Electrostatic Embedding for Highly Efficient Surface Hopping Dynamics in Solution
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-03
err5
errOAAI
errPolonius, Severin; Zhuravel, Oleksandra; Bachmair, Brigitta; Mai, Sebastian
err分享
err收藏
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
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
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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Nonadiabatic Forward Flux Sampling for Excited-State Rare Events
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-03-01
err7
errOAAI
errReiner, Madlen Maria; Bachmair, Brigitta; Tiefenbacher, Maximilian Xaver; Mai, Sebastian; Gonzalez, Leticia; Marquetand, Philipp; Dellago, Christoph
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err收藏

研究方向

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