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Items: 1 to 20 of 67

1.

General mathematical formulation of scattering processes in atom-diatomic collisions in the RmatReact methodology.

McKemmish LK, Tennyson J.

Philos Trans A Math Phys Eng Sci. 2019 Sep 23;377(2154):20180409. doi: 10.1098/rsta.2018.0409. Epub 2019 Aug 5.

PMID:
31378187
2.

Hydrogen molecular ions: H3+, H5+ and beyond.

Tennyson J, Miller S.

Philos Trans A Math Phys Eng Sci. 2019 Sep 23;377(2154):20180395. doi: 10.1098/rsta.2018.0395. Epub 2019 Aug 5.

PMID:
31378175
3.

A variationally computed room temperature line list for AsH3.

Coles PA, Yurchenko SN, Kovacich RP, Hobby J, Tennyson J.

Phys Chem Chem Phys. 2019 Feb 6;21(6):3264-3277. doi: 10.1039/c8cp07110a.

PMID:
30681682
4.

Accurate empirical rovibrational energies and transitions of H216O.

Tóbiás R, Furtenbacher T, Tennyson J, Császár AG.

Phys Chem Chem Phys. 2019 Feb 13;21(7):3473-3495. doi: 10.1039/c8cp05169k.

PMID:
30631873
5.

A highly accurate ab initio dipole moment surface for the ground electronic state of water vapour for spectra extending into the ultraviolet.

Conway EK, Kyuberis AA, Polyansky OL, Tennyson J, Zobov NF.

J Chem Phys. 2018 Aug 28;149(8):084307. doi: 10.1063/1.5043545.

PMID:
30193499
6.

Treating linear molecule HCCH in calculations of rotation-vibration spectra.

Chubb KL, Yachmenev A, Tennyson J, Yurchenko SN.

J Chem Phys. 2018 Jul 7;149(1):014101. doi: 10.1063/1.5031844.

PMID:
29981541
7.

High-accuracy water potential energy surface for the calculation of infrared spectra.

Mizus II, Kyuberis AA, Zobov NF, Makhnev VY, Polyansky OL, Tennyson J.

Philos Trans A Math Phys Eng Sci. 2018 Mar 13;376(2115). pii: 20170149. doi: 10.1098/rsta.2017.0149.

8.

High Accuracy ab Initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System.

Makhnev VY, Kyuberis AA, Zobov NF, Lodi L, Tennyson J, Polyansky OL.

J Phys Chem A. 2018 Feb 8;122(5):1326-1343. doi: 10.1021/acs.jpca.7b10483. Epub 2018 Jan 29.

PMID:
29251934
10.

Simulating electric field interactions with polar molecules using spectroscopic databases.

Owens A, Zak EJ, Chubb KL, Yurchenko SN, Tennyson J, Yachmenev A.

Sci Rep. 2017 Mar 24;7:45068. doi: 10.1038/srep45068.

11.

Fundamentals: general discussion.

Althorpe SC, Beniwal V, Bolhuis PG, Brandão J, Clary DC, Ellis J, Fang W, Glowacki DR, Hele TJ, Jónsson H, Kästner J, Makri N, Manolopoulos DE, McKemmish LK, Menzl G, Miller TF III, Miller WH, Pollak E, Rampino S, Richardson JO, Richter M, Roy Chowdhury P, Shalashilin D, Tennyson J, Welsch R.

Faraday Discuss. 2016 Dec 22;195:139-169. doi: 10.1039/c6fd90077a. No abstract available.

PMID:
27942654
12.

Perspective: Accurate ro-vibrational calculations on small molecules.

Tennyson J.

J Chem Phys. 2016 Sep 28;145(12):120901.

PMID:
27782638
13.

Low-temperature chemistry using the R-matrix method.

Tennyson J, McKemmish LK, Rivlin T.

Faraday Discuss. 2016 Dec 22;195:31-48. doi: 10.1039/c6fd00110f.

PMID:
27711838
14.

Radiative cooling of H3O+ and its deuterated isotopologues.

Melnikov VV, Yurchenko SN, Tennyson J, Jensen P.

Phys Chem Chem Phys. 2016 Sep 21;18(37):26268-26274.

15.

A highly accurate ab initio potential energy surface for methane.

Owens A, Yurchenko SN, Yachmenev A, Tennyson J, Thiel W.

J Chem Phys. 2016 Sep 14;145(10):104305. doi: 10.1063/1.4962261.

PMID:
27634258
16.

Communication: Tunnelling splitting in the phosphine molecule.

Sousa-Silva C, Tennyson J, Yurchenko SN.

J Chem Phys. 2016 Sep 7;145(9):091102. doi: 10.1063/1.4962259.

PMID:
27608982
17.

High-Accuracy CO(2) Line Intensities Determined from Theory and Experiment.

Polyansky OL, Bielska K, Ghysels M, Lodi L, Zobov NF, Hodges JT, Tennyson J.

Phys Rev Lett. 2015 Jun 19;114(24):243001. Epub 2015 Jun 15.

PMID:
26196972
18.

Accurate ab initio vibrational energies of methyl chloride.

Owens A, Yurchenko SN, Yachmenev A, Tennyson J, Thiel W.

J Chem Phys. 2015 Jun 28;142(24):244306. doi: 10.1063/1.4922890.

PMID:
26133427
19.

A hybrid variational-perturbation calculation of the ro-vibrational spectrum of nitric acid.

Pavlyuchko AI, Yurchenko SN, Tennyson J.

J Chem Phys. 2015 Mar 7;142(9):094309. doi: 10.1063/1.4913741.

PMID:
25747083
20.

Communication: Visible line intensities of the triatomic hydrogen ion from experiment and theory.

Petrignani A, Berg MH, Grussie F, Wolf A, Mizus II, Polyansky OL, Tennyson J, Zobov NF, Pavanello M, Adamowicz L.

J Chem Phys. 2014 Dec 28;141(24):241104. doi: 10.1063/1.4904440.

PMID:
25554125

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