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Refinado por: Base de dados/Biblioteca: Springer Nature - Springer Journals All 2022 remover assunto: Technology remover
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11
Chirality recognition in concerted proton transfer process for prismatic water clusters
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Chirality recognition in concerted proton transfer process for prismatic water clusters

Wang, Bo ; Jiang, Wanrun ; Gao, Yang ; Teo, Boon K. ; Wang, Zhigang

Nano research, 2016-09, Vol.9 (9), p.2782-2795 [Periódico revisado por pares]

Beijing: Tsinghua University Press

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12
Proton Transfer in Coal of Early Stage of Metamorphism and in SKN-2K Carbon Sorbent
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Proton Transfer in Coal of Early Stage of Metamorphism and in SKN-2K Carbon Sorbent

Altshuler, 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 Publishing

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13
Optical Characteristics and Structural Properties of 3-(p-Nitrophenyl)-5-phenyl-1H-pyrazole
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Optical Characteristics and Structural Properties of 3-(p-Nitrophenyl)-5-phenyl-1H-pyrazole

Ibnaouf, 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 US

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14
The prediction of intermolecular proton-transfer of guanine-cytosine base pair under the influence of fragments from decomposed MOFs
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The prediction of intermolecular proton-transfer of guanine-cytosine base pair under the influence of fragments from decomposed MOFs

Han, Ying ; Li, Dejie

Journal of molecular modeling, 2019-02, Vol.25 (2), p.40-10, Article 40 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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15
Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect
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Theoretical investigation on the water-assisted excited-state proton transfer of 7-azaindole derivatives: substituent effect

Yi, Jiacheng ; Fang, Hua

Journal of molecular modeling, 2017-11, Vol.23 (11), p.312-11, Article 312 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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16
Fine structure in the transition region: reaction force analyses of water-assisted proton transfers
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Fine structure in the transition region: reaction force analyses of water-assisted proton transfers

Yepes, Diana ; Murray, Jane S. ; Santos, Juan C. ; Toro-Labbé, Alejandro ; Politzer, Peter ; Jaque, Pablo

Journal of molecular modeling, 2013-07, Vol.19 (7), p.2689-2697 [Periódico revisado por pares]

Berlin/Heidelberg: Springer-Verlag

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17
The physico-chemical “anatomy” of the tautomerization through the DPT of the biologically important pairs of hypoxanthine with DNA bases: QM and QTAIM perspectives
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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 perspectives

Brovarets’, 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 Heidelberg

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18
ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systems
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ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systems

Talaga, Piotr ; Brela, Mateusz Z. ; Michalak, Artur

Journal of molecular modeling, 2018-01, Vol.24 (1), p.27-10, Article 27 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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19
A novel formulation of an approximate valence bond model (AVB2) and its application to the tautomeric forms of porphyrin and porphycene
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A novel formulation of an approximate valence bond model (AVB2) and its application to the tautomeric forms of porphyrin and porphycene

Hallay-Suszek, Marta ; Grochowski, Paweł ; Lesyng, Bogdan

Journal of molecular modeling, 2019-06, Vol.25 (6), p.155-14, Article 155 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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20
Hydration effect on proton transfer in melamine−cyanuric acid complex
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Hydration effect on proton transfer in melamine−cyanuric acid complex

Yan, Shihai ; Kang, Baotao ; Lee, Jin Yong ; Sun, Lixiang

Journal of molecular modeling, 2016-07, Vol.22 (7), p.169-169, Article 169 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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