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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 111, 2013 - Issue 9-11: Special Issue: In Honour of Trygve Helgaker
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Invited Article

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

Berta Fernández Department of Physical Chemistry and Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, E-15782, Santiago de Compostela, Spain
,
Christian Henriksen Department of Applied Mathematics and Computer Science, Technical University of Denmark, 2800 Kgs, Lyngby, Denmark
&
David Farrelly Department of Chemistry, Utah State University, Logan, UT, 84322-0300, USA
Pages 1173-1177 | Received 25 Jan 2013, Accepted 21 Mar 2013, Published online: 08 May 2013

Citations (14)

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Chaoying Han, Xin Pei, Hua Zhu & Hongjun Fan. (2020) A new four-dimensional ab initio potential energy surface and rovibrational spectra for the C2H2–Ar complex. Molecular Physics 118:14.
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Articles from other publishers (13)

Elena Yu. Tupikina, Konstantin G. Tokhadze, Gleb S. Denisov & Peter M. Tolstoy. (2020) Lone pairs mapping by Laplacian of 3 He NMR chemical shift . Journal of Computational Chemistry 41:12, pages 1194-1199.
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Felice Grandinetti. 2018. Noble Gas Chemistry. Noble Gas Chemistry 273 335 .
Hubert Cybulski, Christian Henriksen, Richard Dawes, Xiao-Gang Wang, Neha Bora, Gustavo Avila, Tucker Carrington & Berta Fernández. (2018) Ab initio study of the CO–N 2 complex: a new highly accurate intermolecular potential energy surface and rovibrational spectrum . Physical Chemistry Chemical Physics 20:18, pages 12624-12636.
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E. Yu. Tupikina, A. A. Efimova, G. S. Denisov & P. M. Tolstoy. (2017) NMR Chemical Shift of a Helium Atom as a Probe for Electronic Structure of FH, F – , (FHF) − , and FH 2 + . The Journal of Physical Chemistry A 121:50, pages 9654-9662.
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Patricia R.P. Barreto, Ana Claudia P.S. Cruz, Rodrigo L.P. Barreto, Federico Palazzetti, Alessandra F. Albernaz, Andrea Lombardi, Glauciete S. Maciel & Vincenzo Aquilanti. (2017) The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to CO CO and CO HF. Journal of Molecular Spectroscopy 337, pages 163-177.
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Mikhail Lemeshko. (2017) Quasiparticle Approach to Molecules Interacting with Quantum Solvents. Physical Review Letters 118:9.
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Dan Hou, Yong-Tao Ma, Xiao-Long Zhang & Hui Li. (2016) A full-dimension intra- and inter-molecular ab initio potential energy surface and predicted infrared spectra for H2O-He. Journal of Molecular Spectroscopy 330, pages 217-227.
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N. Moazzen-Ahmadi, A. R. W. McKellar, Berta Fernández & David Farrelly. (2015) The infrared spectrum of the Ne–C2D2 complex. The Journal of Chemical Physics 143:20.
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N. Moazzen-Ahmadi, A. R. W. McKellar, Berta Fernández & David Farrelly. (2015) The infrared spectrum of the He–C2D2 complex. The Journal of Chemical Physics 142:8.
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Angeline Wairegi & David Farrelly. (2015) On the fly nodal searches in importance sampled fixed-node diffusion Monte Carlo using a parallel, fine-grained, genetic algorithm. Chemical Physics Letters 619, pages 71-76.
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Gediminas Galinis, Cephise Cacho, Richard T. Chapman, Andrew M. Ellis, Marius Lewerenz, Luis G. Mendoza Luna, Russell S. Minns, Mirjana Mladenović, Arnaud Rouzée, Emma Springate, I. C. Edmond Turcu, Mark J. Watkins & Klaus von Haeften. (2014) Probing the Structure and Dynamics of Molecular Clusters Using Rotational Wave Packets. Physical Review Letters 113:4.
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Limin Zang, Wei Dai, Limin Zheng, Chuanxi Duan, Yunpeng Lu & Minghui Yang. (2014) Theoretical prediction of the linear isomers for rare gas-carbon disulfide complexes: He-CS2, Ne-CS2, and Ar-CS2. The Journal of Chemical Physics 140:11.
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Gediminas Galinis, Luis G. Mendoza Luna, Mark J. Watkins, Andrew M. Ellis, Russell S. Minns, Mirjana Mladenović, Marius Lewerenz, Richard T. Chapman, I. C. Edmond Turcu, Cephise Cacho, Emma Springate, Lev Kazak, Sebastian Göde, Robert Irsig, Slawomir Skruszewicz, Josef Tiggesbäumker, Karl-Heinz Meiwes-Broer, Arnaud Rouzée, Jonathan G. Underwood, Marco Siano & Klaus von Haeften. (2014) Formation of coherent rotational wavepackets in small molecule-helium clusters using impulsive alignment. Faraday Discuss. 171, pages 195-218.
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