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11 |
Material Type: Artigo
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Chirality recognition in concerted proton transfer process for prismatic water clustersWang, Bo ; Jiang, Wanrun ; Gao, Yang ; Teo, Boon K. ; Wang, ZhigangNano research, 2016-09, Vol.9 (9), p.2782-2795 [Periódico revisado por pares]Beijing: Tsinghua University PressTexto completo disponível |
12 |
Material Type: Artigo
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Proton Transfer in Coal of Early Stage of Metamorphism and in SKN-2K Carbon SorbentAltshuler, H. N. ; Malyshenko, N. V. ; Lyrshchikov, S. Yu ; Efimova, O. S. ; Altshuler, O. H.Coke and chemistry (New York, N.Y.), 2021-04, Vol.64 (4), p.139-143 [Periódico revisado por pares]Moscow: Pleiades PublishingTexto completo disponível |
13 |
Material Type: Artigo
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Optical Characteristics and Structural Properties of 3-(p-Nitrophenyl)-5-phenyl-1H-pyrazoleIbnaouf, K. H. ; Elzupir, A. O. ; Ibrahem, M. A. ; Ali, M. K. M. ; Al-Muhanna, Muhanna K.Journal of electronic materials, 2019-02, Vol.48 (2), p.861-866 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
14 |
Material Type: Artigo
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The prediction of intermolecular proton-transfer of guanine-cytosine base pair under the influence of fragments from decomposed MOFsHan, Ying ; Li, DejieJournal of molecular modeling, 2019-02, Vol.25 (2), p.40-10, Article 40 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
15 |
Material Type: Artigo
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Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effectYi, Jiacheng ; Fang, HuaJournal of molecular modeling, 2017-11, Vol.23 (11), p.312-11, Article 312 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
16 |
Material Type: Artigo
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Fine structure in the transition region: reaction force analyses of water-assisted proton transfersYepes, Diana ; Murray, Jane S. ; Santos, Juan C. ; Toro-Labbé, Alejandro ; Politzer, Peter ; Jaque, PabloJournal of molecular modeling, 2013-07, Vol.19 (7), p.2689-2697 [Periódico revisado por pares]Berlin/Heidelberg: Springer-VerlagTexto completo disponível |
17 |
Material Type: Artigo
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The physico-chemical “anatomy” of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectivesBrovarets’, Ol’ha O. ; Zhurakivsky, Roman O. ; Hovorun, Dmytro M.Journal of molecular modeling, 2013-10, Vol.19 (10), p.4119-4137 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
18 |
Material Type: Artigo
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ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systemsTalaga, Piotr ; Brela, Mateusz Z. ; Michalak, ArturJournal of molecular modeling, 2018-01, Vol.24 (1), p.27-10, Article 27 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
19 |
Material Type: Artigo
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A novel formulation of an approximate valence bond model (AVB2) and its application to the tautomeric forms of porphyrin and porphyceneHallay-Suszek, Marta ; Grochowski, Paweł ; Lesyng, BogdanJournal of molecular modeling, 2019-06, Vol.25 (6), p.155-14, Article 155 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |
20 |
Material Type: Artigo
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Hydration effect on proton transfer in melamine−cyanuric acid complexYan, Shihai ; Kang, Baotao ; Lee, Jin Yong ; Sun, LixiangJournal of molecular modeling, 2016-07, Vol.22 (7), p.169-169, Article 169 [Periódico revisado por pares]Berlin/Heidelberg: Springer Berlin HeidelbergTexto completo disponível |