Multidimensional Tunneling Dynamics on HSiOH Cis-Trans Isomerization Usingab initioPotential Energy Surface

Progress of Theoretical Physics Supplement ◽

10.1143/ptps.138.135 ◽

2000 ◽

Vol 138 ◽

pp. 135-136

Author(s):

Tetsuya Taketsugu ◽

Naomitsu Watanabe ◽

Kimihiko Hirao

Keyword(s):

Energy Surface ◽

Trans Isomerization ◽

Tunneling Dynamics ◽

Multidimensional Tunneling

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Multidimensional tunneling dynamics on HSiOH cis-trans isomerization with interpolated potential energy surface

The Journal of Chemical Physics ◽

10.1063/1.479625 ◽

1999 ◽

Vol 111 (8) ◽

pp. 3410-3419 ◽

Cited By ~ 16

Author(s):

Tetsuya Taketsugu ◽

Naomitsu Watanabe ◽

Kimihiko Hirao

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Trans Isomerization ◽

Tunneling Dynamics ◽

Multidimensional Tunneling

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Generation of full-dimensional potential energy surface of intramolecular hydrogen atom transfer in malonaldehyde and tunneling dynamics

The Journal of Chemical Physics ◽

10.1063/1.1418436 ◽

2001 ◽

Vol 115 (23) ◽

pp. 10647-10655 ◽

Cited By ~ 83

Author(s):

Kiyoshi Yagi ◽

Tetsuya Taketsugu ◽

Kimihiko Hirao

Keyword(s):

Hydrogen Atom ◽

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Hydrogen Atom Transfer ◽

Atom Transfer ◽

Tunneling Dynamics ◽

Intramolecular Hydrogen

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Full-dimensional potential energy surface for acetylacetone and tunneling splittings

Physical Chemistry Chemical Physics ◽

10.1039/d0cp04221h ◽

2021 ◽

Author(s):

Chen Qu ◽

Riccardo Conte ◽

Paul L. Houston ◽

Joel M. Bowman

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Stationary Points ◽

Tunneling Splittings ◽

Tunneling Dynamics

New, full-dimensional potential energy surface for acetylacetone allows for description of H-tunneling dynamics and characterization of stationary points.

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MULTIMODE Calculations of Vibrational Spectroscopy and 1d Interconformer Tunneling Dynamics in Glycine Using a Full-Dimensional Potential Energy Surface

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c03738 ◽

2021 ◽

Author(s):

Chen Qu ◽

Paul L. Houston ◽

Riccardo Conte ◽

Apurba Nandi ◽

Joel M. Bowman

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Vibrational Spectroscopy ◽

Energy Surface ◽

Tunneling Dynamics

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Vibrational and K’a dependencies of the multidimensional tunneling dynamics in the 82.6 cm−1 intermolecular vibration of the water dimer‐d4

The Journal of Chemical Physics ◽

10.1063/1.464803 ◽

1993 ◽

Vol 98 (9) ◽

pp. 6600-6617 ◽

Cited By ~ 74

Author(s):

N. Pugliano ◽

J. D. Cruzan ◽

J. G. Loeser ◽

R. J. Saykally

Keyword(s):

Water Dimer ◽

Intermolecular Vibration ◽

Tunneling Dynamics ◽

Multidimensional Tunneling

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Multidimensional Tunneling Dynamics Employing Quantum-Trajectory Guided Adaptable Gaussian Bases

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07168 ◽

2020 ◽

Vol 124 (44) ◽

pp. 9314-9325

Author(s):

Matthew Dutra ◽

Sachith Wickramasinghe ◽

Sophya Garashchuk

Keyword(s):

Quantum Trajectory ◽

Tunneling Dynamics ◽

Multidimensional Tunneling

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An accurate, global, ab initio potential energy surface for the H + 3 molecule

Molecular Physics ◽

10.1080/002689700162540 ◽

2000 ◽

Vol 98 (5) ◽

pp. 261-273 ◽

Cited By ~ 10

Author(s):

Oleg L. Polyansky, Rita Prosmiti, Wim Kl

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface

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HIGH-ACCURATE INTERMOLECULAR POTENTIAL ENERGY SURFACE OF HCN−H2 COMPLEX WITH INTRAMOLECULAR VIBRATIONAL MODE OF HCN INCLUDED

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.wa08 ◽

2016 ◽

Author(s):

Yu Zhai ◽

Hui Li

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Vibrational Mode ◽

Intermolecular Potential

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AB INITIO EXPLORATION OF THE POTENTIAL ENERGY SURFACE OF THE O2-SO2 OPEN-SHELL COMPLEX.

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.tk12 ◽

2016 ◽

Author(s):

Wafaa Fawzy ◽

Jon Hougen

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Open Shell

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THE ORIGINS OF INTRA- AND INTER-MOLECULAR VIBRATIONAL COUPLINGS: A CASE STUDY OF H2O−Ar ON FULL AND REDUCED-DIMENSIONAL POTENTIAL ENERGY SURFACE

Proceedings of the 71st International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2016.wf13 ◽

2016 ◽

Author(s):

Hui Li ◽

Xiao-Long Zhang ◽

Yong-Tao Ma ◽

Dan Hou

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface

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