The formamidine–formic acid dimer: a theoretical examination of its equilibrium structure and of the double-proton-transfer process

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39910000080 ◽

1991 ◽

pp. 80-81 ◽

Cited By ~ 9

Author(s):

Israel Agranat ◽

Noel V. Riggs ◽

Leo Radom

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Transfer Process ◽

Equilibrium Structure ◽

Theoretical Examination ◽

Double Proton Transfer ◽

The Double Proton Transfer ◽

Proton Transfer Process

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Photophysics of the 6H-Indolo[2,3-b]quinoline Molecule: The Excited-State Double-Proton-Transfer Process in Perspective

The Journal of Physical Chemistry A ◽

10.1021/jp110948a ◽

2011 ◽

Vol 115 (10) ◽

pp. 1900-1907 ◽

Cited By ~ 2

Author(s):

Juan Carlos del Valle ◽

Javier Catalán

Keyword(s):

Excited State ◽

Proton Transfer ◽

Transfer Process ◽

Double Proton Transfer ◽

Proton Transfer Process

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A theoretical study on water-assisted excited state double proton transfer process in substituted 2,7-diazaindole-H2O complex

Theoretical Chemistry Accounts ◽

10.1007/s00214-020-02655-3 ◽

2020 ◽

Vol 139 (8) ◽

Author(s):

Hua Fang

Keyword(s):

Excited State ◽

Proton Transfer ◽

Transfer Process ◽

Theoretical Study ◽

Double Proton Transfer ◽

Proton Transfer Process

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Evidence for stepwise excited state double proton transfer process in quinolone–pyrazole triggered by methanol solvent

Chemical Physics ◽

10.1016/j.chemphys.2019.110553 ◽

2020 ◽

Vol 529 ◽

pp. 110553 ◽

Cited By ~ 2

Author(s):

Hui Li ◽

Zhi Wei ◽

Yao Ma ◽

Wei Zhang ◽

Di Wang ◽

...

Keyword(s):

Excited State ◽

Proton Transfer ◽

Transfer Process ◽

Double Proton Transfer ◽

Proton Transfer Process

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Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Journal of Visualized Experiments ◽

10.3791/60040 ◽

2019 ◽

Author(s):

Zhihui Tu ◽

Jian Yin ◽

Liangxu Xie

Keyword(s):

Proton Transfer ◽

Transfer Process ◽

Isotopic Effect ◽

Double Proton Transfer ◽

Proton Transfer Process

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Bond Fragility Spectra for the Double Proton-Transfer Reaction in the Formic Acid-Type Dimers

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b00595 ◽

2019 ◽

Vol 123 (19) ◽

pp. 4274-4283 ◽

Cited By ~ 3

Author(s):

Jarosław Zaklika ◽

Ludwik Komorowski ◽

Piotr Ordon

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Transfer Reaction ◽

Proton Transfer Reaction ◽

Double Proton Transfer ◽

Acid Type ◽

The Double Proton Transfer

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Theoretical Study for Solvent Effect on the Potential Energy Surface for the Double Proton Transfer in Formic Acid Dimer and Formamidine Dimer

The Journal of Physical Chemistry A ◽

10.1021/jp9626226 ◽

1997 ◽

Vol 101 (12) ◽

pp. 2233-2239 ◽

Cited By ~ 45

Author(s):

Jae-Hyun Lim ◽

Eok Kyun Lee ◽

Yongho Kim

Keyword(s):

Potential Energy ◽

Proton Transfer ◽

Potential Energy Surface ◽

Formic Acid ◽

Solvent Effect ◽

Energy Surface ◽

Theoretical Study ◽

Double Proton Transfer ◽

The Double Proton Transfer

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Correlation Effects in the Double Proton Transfer of the Formic Acid Dimer

Quantum Systems in Chemistry and Physics. Trends in Methods and Applications - Topics in Molecular Organization and Engineering ◽

10.1007/978-94-011-4894-8_9 ◽

1997 ◽

pp. 161-167

Author(s):

Henryk Chojnacki

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Correlation Effects ◽

Double Proton Transfer ◽

The Double Proton Transfer

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Computational study on interaction energy changes during double proton transfer process

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.07.006 ◽

2012 ◽

Vol 998 ◽

pp. 120-128 ◽

Cited By ~ 3

Author(s):

Artur Smaga ◽

Joanna Sadlej

Keyword(s):

Proton Transfer ◽

Interaction Energy ◽

Transfer Process ◽

Computational Study ◽

Double Proton Transfer ◽

Proton Transfer Process

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Direct Dynamics Calculation for the Double Proton Transfer in Formic Acid Dimer

Journal of the American Chemical Society ◽

10.1021/ja953175v ◽

1996 ◽

Vol 118 (6) ◽

pp. 1522-1528 ◽

Cited By ~ 98

Author(s):

Yongho Kim

Keyword(s):

Proton Transfer ◽

Formic Acid ◽

Direct Dynamics ◽

Double Proton Transfer ◽

Dynamics Calculation ◽

The Double Proton Transfer

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Ferroelectric molecular field-switch based on double proton transfer process: Static and dynamical simulations

The Journal of Chemical Physics ◽

10.1063/1.4944963 ◽

2016 ◽

Vol 144 (13) ◽

pp. 134303 ◽

Cited By ~ 4

Author(s):

Michał F. Rode ◽

Joanna Jankowska ◽

Andrzej L. Sobolewski

Keyword(s):

Proton Transfer ◽

Transfer Process ◽

Molecular Field ◽

Double Proton Transfer ◽

Dynamical Simulations ◽

Proton Transfer Process

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