Theoretical Study of Proton Tunneling in the Imidazole–Imidazolium Complex

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c02972 ◽

2021 ◽

Author(s):

Łukasz Boda ◽

Marek Boczar ◽

Marek J. Wójcik ◽

Takahito Nakajima

Keyword(s):

Theoretical Study ◽

Proton Tunneling

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Role of Proton Tunneling and Metal-Free Organocatalysis in the Decomposition of Methanediol: A Theoretical Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b01864 ◽

2017 ◽

Vol 121 (22) ◽

pp. 4318-4325 ◽

Author(s):

Manoj Kumar ◽

Josep M. Anglada ◽

Joseph S. Francisco

Keyword(s):

Theoretical Study ◽

Proton Tunneling ◽

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Effects of intermolecular interaction on proton tunneling: Theoretical study on two-dimensional potential energy surfaces for 9-hydroxyphenalenone-CO2/H2O complexes

The Journal of Chemical Physics ◽

10.1063/1.1592505 ◽

2003 ◽

Vol 119 (8) ◽

pp. 4159-4165 ◽

Author(s):

Hirotoshi Mori ◽

Hiroshi Sekiya ◽

Eisaku Miyoshi ◽

Koichi Mogi ◽

Yoshiko Sakai

Keyword(s):

Potential Energy ◽

Intermolecular Interaction ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

Two Dimensional ◽

Proton Tunneling ◽

Energy Surfaces

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Theoretical study of proton tunneling in the excited state of tropolone

The Journal of Chemical Physics ◽

10.1063/1.3115721 ◽

2009 ◽

Vol 130 (16) ◽

pp. 164306 ◽

Author(s):

Marek J. Wójcik ◽

Łukasz Boda ◽

Marek Boczar

Keyword(s):

Excited State ◽

Theoretical Study ◽

Proton Tunneling

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Theoretical study of multidimensional proton tunneling in the hydrogen carbonate dimer ion [(HCO3)2]2−

Journal of Molecular Structure ◽

10.1016/s0022-2860(02)00251-x ◽

2002 ◽

Vol 614 (1-3) ◽

pp. 109-115 ◽

Author(s):

Marek J. Wójcik ◽

Wiktor Tatara ◽

Susumu Ikeda

Keyword(s):

Theoretical Study ◽

Proton Tunneling ◽

Hydrogen Carbonate

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Theoretical study of multidimensional proton tunneling in the excited state of tropolone

The Journal of Chemical Physics ◽

10.1063/1.481193 ◽

2000 ◽

Vol 112 (14) ◽

pp. 6322-6328 ◽

Author(s):

Marek J. Wójcik ◽

Hiroki Nakamura ◽

Suehiro Iwata ◽

Wiktor Tatara

Keyword(s):

Excited State ◽

Theoretical Study ◽

Proton Tunneling

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The effect of cardiac output changes on end-expired volatile anaesthetic concentrations - a theoretical study

Anaesthesia ◽

10.1046/j.1365-2044.2001.02212.x ◽

2001 ◽

Vol 56 (11) ◽

pp. 1034-1040 ◽

Author(s):

R. R. Kennedy ◽

A. B. Baker

Keyword(s):

Cardiac Output ◽

Theoretical Study ◽

Volatile Anaesthetic

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Theoretical study of ground and excited state potential energy surfaces for the Ca + -H 2 complex

Molecular Physics ◽

10.1080/002689700162414 ◽

2000 ◽

Vol 98 (7) ◽

pp. 419-427 ◽

Author(s):

E. Czuchaj, M. Krosnicki, H. Stoll

Keyword(s):

Excited State ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Theoretical Study ◽

State Potential ◽

Energy Surfaces

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RESEARCH NOTE Theoretical study of the CH3 + NS and related reactions: mechanism of HCN formation

Molecular Physics ◽

10.1080/002689799164261 ◽

1999 ◽

Vol 96 (12) ◽

pp. 1817-1822

Author(s):

TRUNG NGOC LE, LOC THANH NGUYEN, MINH THO

Keyword(s):

Theoretical Study ◽

Research Note ◽

Reactions Mechanism

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Molecular Ordering of a Nematogen at Phase Transition Temperature - A Theoretical Study

Phase Transitions ◽

10.1080/01411590290008352a ◽

2002 ◽

Vol 75 (4-5) ◽

pp. 413-421

Author(s):

Durga Prasad Ojha ◽

Devesh Kumar ◽

V.G.K.M. Pisipati

Keyword(s):

Phase Transition ◽

Transition Temperature ◽

Phase Transition Temperature ◽

Theoretical Study ◽

Molecular Ordering

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Theoretical study of C60O2 molecular properties

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(96)04855-5 ◽

1997 ◽

Vol 392 (1) ◽

pp. 217-221 ◽

Author(s):

S Zhenfeng

Keyword(s):

Theoretical Study ◽

Molecular Properties

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