Ab initio potential energy surface and intermolecular vibrations of the naphthalene-argon van der Waals complex

The Journal of Chemical Physics ◽

10.1063/1.3555765 ◽

2011 ◽

Vol 134 (6) ◽

pp. 064322 ◽

Author(s):

Jan Makarewicz

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Van Der Waals ◽

Van Der Waals Complex ◽

Intermolecular Vibrations

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Theoretical studies of the CO2–N2O van der Waals complex: Ab initio potential energy surface, intermolecular vibrations, and rotational transition frequencies

The Journal of Chemical Physics ◽

10.1063/1.4776183 ◽

2013 ◽

Vol 138 (4) ◽

pp. 044302 ◽

Author(s):

Limin Zheng ◽

Soo-Ying Lee ◽

Yunpeng Lu ◽

Minghui Yang

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Van Der Waals ◽

Rotational Transition ◽

Theoretical Studies ◽

Van Der Waals Complex ◽

Intermolecular Vibrations

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An ab initio investigation of the potential energy surface of the benzene—neon van der Waals complex

Chemical Physics Letters ◽

10.1016/0009-2614(92)85548-o ◽

1992 ◽

Vol 195 (5-6) ◽

pp. 482-486 ◽

Author(s):

Th. Brupbacher ◽

H.P. Lüthi ◽

A. Bauder

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Van Der Waals ◽

Van Der Waals Complex

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Exact quantum dynamics background of dispersion interactions: case study for CH4·Ar in full (12) dimensions

Physical Chemistry Chemical Physics ◽

10.1039/c9cp04426d ◽

2020 ◽

Vol 22 (5) ◽

pp. 2792-2802

Author(s):

Gustavo Avila ◽

Dóra Papp ◽

Gábor Czakó ◽

Edit Mátyus

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Quantum Dynamics ◽

Energy Surface ◽

Van Der Waals ◽

Dispersion Interactions ◽

Van Der Waals Complex ◽

A full-dimensional ab initio potential energy surface is developed and utilized in full-dimensional variational vibrational computations for the CH4·Ar van-der-Waals complex.

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Theoretical studies of the N2O van der Waals dimer: Ab initio potential energy surface, intermolecular vibrations and rotational transition frequencies

The Journal of Chemical Physics ◽

10.1063/1.3523984 ◽

2011 ◽

Vol 134 (5) ◽

pp. 054311 ◽

Author(s):

Limin Zheng ◽

Yunpeng Lu ◽

Soo-Ying Lee ◽

Hong Fu ◽

Minghui Yang

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Van Der Waals ◽

Rotational Transition ◽

Theoretical Studies ◽

Intermolecular Vibrations ◽

Van Der Waals Dimer

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Ab initio potential energy surface for the collisional system H−+H2 and properties of its van der Waals complex

Chemical Physics ◽

10.1016/0301-0104(93)85009-w ◽

1993 ◽

Vol 176 (1) ◽

pp. 83-95 ◽

Author(s):

J. Stärck ◽

W. Meyer

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Energy Surface ◽

Van Der Waals ◽

Van Der Waals Complex

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Ab initio intermolecular potential energy surface, bound states, and microwave spectra for the van der Waals complex Ne–HCCCN

The Journal of Chemical Physics ◽

10.1063/1.1888567 ◽

2005 ◽

Vol 122 (17) ◽

pp. 174312 ◽

Author(s):

Yanzi Zhou ◽

Daiqian Xie

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Bound States ◽

Energy Surface ◽

Van Der Waals ◽

Intermolecular Potential ◽

Van Der Waals Complex ◽

Microwave Spectra

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Theoretical studies for the N2–N2O van der Waals complex: The potential energy surface, intermolecular vibrations, and rotational transition frequencies

The Journal of Chemical Physics ◽

10.1063/1.4933057 ◽

2015 ◽

Vol 143 (15) ◽

pp. 154304 ◽

Author(s):

Rui Zheng ◽

Limin Zheng ◽

Yunpeng Lu ◽

Minghui Yang

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Van Der Waals ◽

Rotational Transition ◽

Theoretical Studies ◽

Van Der Waals Complex ◽

Intermolecular Vibrations

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Refined ab initio intermolecular ground-state potential energy surface for the He–C2H2 van der Waals complex

Molecular Physics ◽

10.1080/00268976.2013.793837 ◽

2013 ◽

Vol 111 (9-11) ◽

pp. 1173-1177 ◽

Author(s):

Berta Fernández ◽

Christian Henriksen ◽

David Farrelly

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Ground State ◽

Energy Surface ◽

Van Der Waals ◽

Van Der Waals Complex ◽

State Potential

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SEQUENTIAL CAPTURE OF O(3P) AND HCN BY HELIUM NANODROPLETS: INFRARED SPECTROSCOPY OF THE VAN DER WAALS COMPLEX SUPPLEMENTED BY AB INITIO COMPUTATIONS OF THE POTENTIAL ENERGY SURFACE AND BOUND STATES

Proceedings of the 2020 International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2020.wd08 ◽

2020 ◽

Author(s):

Peter Franke ◽

Gary Douberly

Keyword(s):

Infrared Spectroscopy ◽

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Bound States ◽

Energy Surface ◽

Van Der Waals ◽

Helium Nanodroplets ◽

Van Der Waals Complex ◽

Ab Initio Computations

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The aniline–argon van der Waals complex: ab initio second-order Møller–Plesset study of the potential energy surface in the ground electronic state

Chemical Physics ◽

10.1016/s0301-0104(99)00281-5 ◽

1999 ◽

Vol 249 (2-3) ◽

pp. 113-120 ◽

Author(s):

I. López-Tocón ◽

J.C. Otero ◽

M. Becucci ◽

G. Pietraperzia ◽

E. Castellucci

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Ab Initio ◽

Electronic State ◽

Energy Surface ◽

Van Der Waals ◽

Second Order ◽

Ground Electronic State ◽

Van Der Waals Complex ◽

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