受强制性开放获取政策约束的文章 - Ivan Rivalta了解详情
无法在其他位置公开访问的文章：6 篇
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Modeling multidimensional spectral lineshapes from first principles: application to water-solvated adenine
J Segarra-Martí, F Segatta, TA Mackenzie, A Nenov, I Rivalta, ...
Faraday discussions 221, 219-244, 2020
强制性开放获取政策： European Commission, Agence Nationale de la Recherche
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Noncollinear spins provide a self-consistent treatment of the low-spin state of a biomimetic oxomanganese synthetic trimer inspired by the oxygen evolving complex of photosystem II
S Luo, I Rivalta, V Batista, DG Truhlar
The Journal of Physical Chemistry Letters 2 (20), 2629-2633, 2011
强制性开放获取政策： US National Institutes of Health
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Fine tuning of retinal photoinduced decay in solution
B Demoulin, SF Altavilla, I Rivalta, M Garavelli
The journal of physical chemistry letters 8 (18), 4407-4412, 2017
强制性开放获取政策： European Commission
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Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer
I Rivalta, KR Yang, GW Brudvig, VS Batista
ACS Catalysis 5 (4), 2384-2390, 2015
强制性开放获取政策： US Department of Energy
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Photo-active biological molecular materials: from photoinduced dynamics to transient electronic spectroscopies
I Conti, M Bonfanti, A Nenov, I Rivalta, M Garavelli
QM/MM Studies of Light-responsive Biological Systems, 77-142, 2021
强制性开放获取政策： European Commission, Agence Nationale de la Recherche
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Optimal-tuning of range-separated density functionals to describe the optical and photophysical properties of rhodamine B dimers
G Fanciullo, C Adamo, I Rivalta, I Ciofini
Physical Chemistry Chemical Physics 26 (36), 23920-23933, 2024
强制性开放获取政策： European Commission
可在其他位置公开访问的文章：71 篇
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
强制性开放获取政策： US National Science Foundation, US Department of Energy, Swiss National …
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Allostery in its many disguises: from theory to applications
SJ Wodak, E Paci, NV Dokholyan, IN Berezovsky, A Horovitz, J Li, ...
Structure 27 (4), 566-578, 2019
强制性开放获取政策： US National Institutes of Health, 国家自然科学基金委员会, UK Engineering and …
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S1-State Model of the O2-Evolving Complex of Photosystem II
S Luber, I Rivalta, Y Umena, K Kawakami, JR Shen, N Kamiya, ...
Biochemistry 50 (29), 6308-6311, 2011
强制性开放获取政策： US National Institutes of Health
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Eigenvector centrality for characterization of protein allosteric pathways
CFA Negre, UN Morzan, HP Hendrickson, R Pal, GP Lisi, JP Loria, ...
Proceedings of the National Academy of Sciences 115 (52), E12201-E12208, 2018
强制性开放获取政策： US National Science Foundation, US Department of Energy, US National …
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Allosteric pathways in imidazole glycerol phosphate synthase
I Rivalta, MM Sultan, NS Lee, GA Manley, JP Loria, VS Batista
Proceedings of the National Academy of Sciences 109 (22), E1428-E1436, 2012
强制性开放获取政策： US National Institutes of Health
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Structural–functional role of chloride in photosystem II
I Rivalta, M Amin, S Luber, S Vassiliev, R Pokhrel, Y Umena, K Kawakami, ...
Biochemistry 50 (29), 6312-6315, 2011
强制性开放获取政策： US National Institutes of Health
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ...
Journal of chemical theory and computation 19 (20), 6933-6991, 2023
强制性开放获取政策： US National Science Foundation, US Department of Energy, Swiss National …
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Protospacer adjacent motif-induced allostery activates CRISPR-Cas9
G Palermo, CG Ricci, A Fernando, R Basak, M Jinek, I Rivalta, VS Batista, ...
Journal of the American Chemical Society 139 (45), 16028-16031, 2017
强制性开放获取政策： US National Science Foundation, US Department of Energy, Swiss National …
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Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’,‘regulating’, and ‘locking’the catalytic HNH domain
G Palermo, JS Chen, CG Ricci, I Rivalta, M Jinek, VS Batista, JA Doudna, ...
Quarterly reviews of biophysics 51, e9, 2018
强制性开放获取政策： US National Science Foundation, US Department of Energy, Swiss National …
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Oxomanganese complexes for natural and artificial photosynthesis
I Rivalta, GW Brudvig, VS Batista
Current opinion in chemical biology 16 (1-2), 11-18, 2012
强制性开放获取政策： US National Institutes of Health
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COBRAMM 2.0—A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations
O Weingart, A Nenov, P Altoè, I Rivalta, J Segarra-Martí, I Dokukina, ...
Journal of Molecular Modeling 24, 1-30, 2018
强制性开放获取政策： European Commission
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Two-dimensional UV spectroscopy: a new insight into the structure and dynamics of biomolecules
R Borrego-Varillas, A Nenov, L Ganzer, A Oriana, C Manzoni, A Tolomelli, ...
Chemical Science 10 (43), 9907-9921, 2019
强制性开放获取政策： US National Science Foundation, US Department of Energy, European Commission
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UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level
AJ Pepino, J Segarra-Martí, A Nenov, I Rivalta, R Improta, M Garavelli
Physical Chemistry Chemical Physics 20 (10), 6877-6890, 2018
强制性开放获取政策： European Commission
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Tracking excited state decay mechanisms of pyrimidine nucleosides in real time
R Borrego-Varillas, A Nenov, P Kabaciński, I Conti, L Ganzer, A Oriana, ...
Nature Communications 12 (1), 7285, 2021
强制性开放获取政策： European Commission, Agence Nationale de la Recherche, Government of Italy
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