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Material Type: Artigo
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Proton transfer in Quantum well and Potential barrier models of adenine-thymine and deazaadenine-thymine radical cation: A QM/MM dynamics studyZhang, Guiqing ; Lv, Zengtao ; Cui, Shouxin ; Guo, Feng ; Liu, HongqiangChemical physics letters, 2023-09, Vol.826, p.140663, Article 140663 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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2 |
Material Type: Artigo
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Theoretical study of the nitrosation reaction mechanism of N-nitrosation reaction catalyzed by the cupin domain of SznF enzyme toward the modified L-Arg with methyl nitrogen deprotonationZhang, Shiduo ; Yang, Wenlong ; Zhang, MinyiChemical physics letters, 2023-08, Vol.824, p.140565, Article 140565 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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3 |
Material Type: Artigo
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Cysteine dioxygenase catalyzed CF bond cleavage: An in silico approachSong, Zhisheng ; Yue, Yue ; Feng, Shanshan ; Sun, Hui ; Li, Yanwei ; Xu, Fei ; Zhang, Qingzhu ; Wang, WenxingChemical physics letters, 2020-07, Vol.750, Article 137449 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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4 |
Material Type: Artigo
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Cysteine dioxygenase catalyzed C F bond cleavage: An in silico approachSong, Zhisheng ; Yue, Yue ; Feng, Shanshan ; Sun, Hui ; Li, Yanwei ; Xu, Fei ; Zhang, Qingzhu ; Wang, WenxingChemical physics letters, 2020-07, Vol.750, p.137449, Article 137449 [Periódico revisado por pares]Texto completo disponível |
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5 |
Material Type: Artigo
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The known-unknowns of anomalous underscreening in concentrated electrolytesElliott, Gareth R. ; Gregory, Kasimir P. ; Robertson, Hayden ; Craig, Vincent S.J. ; Webber, Grant B. ; Wanless, Erica J. ; Page, Alister J.Chemical physics letters, 2024-05, Vol.843, Article 141190 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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6 |
Material Type: Artigo
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Catalysis mechanism of oxidized polyvinyl alcohol by pseudomonas hydrolase: Insights from molecular dynamics and QM/MM analysisChen, Jinfeng ; Wang, Junjie ; Li, Yanwei ; Wang, Xiaodan ; Zhuang, Tao ; Zhang, Qingzhu ; Wang, WenxingChemical physics letters, 2019-04, Vol.721, p.49-56 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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7 |
Material Type: Artigo
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Two-photon absorption of soft X-ray free electron laser radiation by graphite near the carbon K-absorption edgeLam, Royce K. ; Raj, Sumana L. ; Pascal, Tod A. ; Pemmaraju, C. D. ; Foglia, Laura ; Simoncig, Alberto ; Fabris, Nicola ; Miotti, Paolo ; Hull, Christopher J. ; Rizzuto, Anthony M. ; Smith, Jacob W. ; Mincigrucci, Riccardo ; Masciovecchio, Claudio ; Gessini, Alessandro ; De Ninno, Giovanni ; Diviacco, Bruno ; Roussel, Eleonore ; Spampinati, Simone ; Penco, Giuseppe ; Di Mitri, Simone ; Trovò, Mauro ; Danailov, Miltcho B. ; Christensen, Steven T. ; Sokaras, Dimosthenis ; Weng, Tsu -Chien ; Coreno, Marcello ; Poletto, Luca ; Drisdell, Walter S. ; Prendergast, David ; Giannessi, Luca ; Principi, Emiliano ; Nordlund, Dennis ; Saykally, Richard J. ; Schwartz, Craig P.Chemical physics letters, 2018-05, Vol.703 (C) [Periódico revisado por pares]United States: ElsevierTexto completo disponível |
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8 |
Material Type: Artigo
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Insights into the error bypass of 1-Nitropyrene DNA adduct by DNA polymerase ι: A QM/MM studyLi, Yanwei ; Bao, Lei ; Zhang, Ruiming ; Tang, Xiaowen ; Zhang, Qingzhu ; Wang, WenxingChemical physics letters, 2017-10, Vol.686, p.12-17 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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9 |
Material Type: Artigo
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Benchmarking calculations of spectral densities for the diagonal and nondiagonal exciton-phonon coupling of tetracene crystalZhang, Jin ; Zhu, Chaoyuan ; Liang, WanZhenChemical physics letters, 2017-08, Vol.681, p.7-15 [Periódico revisado por pares]Elsevier B.VTexto completo disponível |
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10 |
Material Type: Artigo
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Multiple exciton generation in semiconductor quantum dotsNozik, Arthur J.Chemical Physics Letters, 2008-05, Vol.457 (1), p.3-11 [Periódico revisado por pares]United States: Elsevier B.VTexto completo disponível |