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Items: 31

1.

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
2.

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.

3.

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
4.

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
5.

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
6.

Calculation of rotation-vibration energy levels of the water molecule with near-experimental accuracy based on an ab initio potential energy surface.

Polyansky OL, Ovsyannikov RI, Kyuberis AA, Lodi L, Tennyson J, Zobov NF.

J Phys Chem A. 2013 Oct 3;117(39):9633-43. doi: 10.1021/jp312343z. Epub 2013 Apr 19.

PMID:
23517285
7.

Spectroscopy of H3+ based on a new high-accuracy global potential energy surface.

Polyansky OL, Alijah A, Zobov NF, Mizus II, Ovsyannikov RI, Tennyson J, Lodi L, Szidarovszky T, Császár AG.

Philos Trans A Math Phys Eng Sci. 2012 Nov 13;370(1978):5014-27. doi: 10.1098/rsta.2012.0014.

PMID:
23028150
8.

Stark coefficients for highly excited rovibrational states of H2O.

Grechko M, Aseev O, Rizzo TR, Zobov NF, Lodi L, Tennyson J, Polyansky OL, Boyarkin OV.

J Chem Phys. 2012 Jun 28;136(24):244308. doi: 10.1063/1.4730295.

PMID:
22755575
9.

Calibration-quality adiabatic potential energy surfaces for H3(+) and its isotopologues.

Pavanello M, Adamowicz L, Alijah A, Zobov NF, Mizus II, Polyansky OL, Tennyson J, Szidarovszky T, Császár AG.

J Chem Phys. 2012 May 14;136(18):184303. doi: 10.1063/1.4711756.

PMID:
22583283
10.

Global spectroscopy of the water monomer.

Polyansky OL, Zobov NF, Mizus II, Lodi L, Yurchenko SN, Tennyson J, Császár AG, Boyarkin OV.

Philos Trans A Math Phys Eng Sci. 2012 Jun 13;370(1968):2728-48. doi: 10.1098/rsta.2011.0259.

PMID:
22547241
11.

Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range.

Pavanello M, Adamowicz L, Alijah A, Zobov NF, Mizus II, Polyansky OL, Tennyson J, Szidarovszky T, Császár AG, Berg M, Petrignani A, Wolf A.

Phys Rev Lett. 2012 Jan 13;108(2):023002. Epub 2012 Jan 11.

PMID:
22324677
12.

State-selective spectroscopy of water up to its first dissociation limit.

Grechko M, Boyarkin OV, Rizzo TR, Maksyutenko P, Zobov NF, Shirin SV, Lodi L, Tennyson J, Császár AG, Polyansky OL.

J Chem Phys. 2009 Dec 14;131(22):221105. doi: 10.1063/1.3273207.

PMID:
20001017
13.

Collisionally assisted spectroscopy of water from 27,000 to 34,000 cm(-1).

Grechko M, Maksyutenko P, Zobov NF, Shirin SV, Polyansky OL, Rizzo TR, Boyarkin OV.

J Phys Chem A. 2008 Oct 23;112(42):10539-45. doi: 10.1021/jp805849q. Epub 2008 Sep 30.

PMID:
18823107
14.

Water line lists close to experimental accuracy using a spectroscopically determined potential energy surface for H2(16)O, H2(17)O, and H2(18)O.

Shirin SV, Zobov NF, Ovsyannikov RI, Polyansky OL, Tennyson J.

J Chem Phys. 2008 Jun 14;128(22):224306. doi: 10.1063/1.2927903.

PMID:
18554012
15.

A new ab initio ground-state dipole moment surface for the water molecule.

Lodi L, Tolchenov RN, Tennyson J, Lynas-Gray AE, Shirin SV, Zobov NF, Polyansky OL, Császár AG, van Stralen JN, Visscher L.

J Chem Phys. 2008 Jan 28;128(4):044304. doi: 10.1063/1.2817606.

PMID:
18247946
16.

Approaching the full set of energy levels of water.

Maksyutenko P, Muenter JS, Zobov NF, Shirin SV, Polyansky OL, Rizzo TR, Boyarkin OV.

J Chem Phys. 2007 Jun 28;126(24):241101.

PMID:
17614527
17.

CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule.

Barletta P, Shirin SV, Zobov NF, Polyansky OL, Tennyson J, Valeev EF, Császár AG.

J Chem Phys. 2006 Nov 28;125(20):204307.

PMID:
17144700
18.

Continuous-wave cavity ringdown spectroscopy of the 8nu polyad of water in the 25,195-25,340 cm(-1) range.

Dupré P, Gherman T, Zobov NF, Tolchenov RN, Tennyson J.

J Chem Phys. 2005 Oct 15;123(15):154307.

PMID:
16252948
19.

On equilibrium structures of the water molecule.

Császár AG, Czakó G, Furtenbacher T, Tennyson J, Szalay V, Shirin SV, Zobov NF, Polyansky OL.

J Chem Phys. 2005 Jun 1;122(21):214305.

PMID:
15974736
20.

A 3000 K laboratory emission spectrum of water.

Coheur PF, Bernath PF, Carleer M, Colin R, Polyansky OL, Zobov NF, Shirin SV, Barber RJ, Tennyson J.

J Chem Phys. 2005 Feb 15;122(7):074307.

PMID:
15743232
21.

Analysis of hot D2O emission using spectroscopically determined potentials.

Shirin SV, Zobov NF, Polyansky OL, Tennyson J, Parekunnel T, Bernath PF.

J Chem Phys. 2004 Jan 1;120(1):206-10.

PMID:
15267278
22.

High-accuracy ab initio rotation-vibration transitions for water.

Polyansky OL, Császár AG, Shirin SV, Zobov NF, Barletta P, Tennyson J, Schwenke DW, Knowles PJ.

Science. 2003 Jan 24;299(5606):539-42.

23.

Dipole moments of highly vibrationally excited water.

Callegari A, Theulé P, Muenter JS, Tolchenov RN, Zobov NF, Polyansky OL, Tennyson J, Rizzo TR.

Science. 2002 Aug 9;297(5583):993-5.

24.

Ab initio rotation-vibration energy levels of triatomics to spectroscopic accuracy.

Tennyson J, Barletta P, Kostin MA, Polyansky OL, Zobov NF.

Spectrochim Acta A Mol Biomol Spectrosc. 2002 Mar 1;58(4):663-72.

PMID:
11991489
25.

The Water Vapor Spectrum in the Region 8600-15 000 cm(-1): Experimental and Theoretical Studies for a New Spectral Line Database.

Schermaul R, Learner RC, Newnham DA, Ballard J, Zobov NF, Belmiloud D, Tennyson J.

J Mol Spectrosc. 2001 Jul;208(1):43-50.

PMID:
11437551
26.

The Water Vapor Spectrum in the Region 8600-15 000 cm(-1): Experimental and Theoretical Studies for a New Spectral Line Database.

Schermaul R, Learner RC, Newnham DA, Williams RG, Ballard J, Zobov NF, Belmiloud D, Tennyson J.

J Mol Spectrosc. 2001 Jul;208(1):32-42.

PMID:
11437550
27.

Cavity-Ring-Down Spectroscopy on Water Vapor in the Range 555-604 nm.

Naus H, Ubachs W, Levelt PF, Polyansky OL, Zobov NF, Tennyson J.

J Mol Spectrosc. 2001 Jan;205(1):117-121.

PMID:
11148115
28.

Hot Bands of Water up to 6nu2-5nu2 in the 933-2500 cm-1 Region.

Zobov NF, Polyansky OL, Tennyson J, Lotoski JA, Colarusso P, Zhang K, Bernath PF.

J Mol Spectrosc. 1999 Jan;193(1):118-136.

PMID:
9878493
29.

Water Vapor Line Assignments in the Near Infrared.

Polyansky OL, Zobov NF, Viti S, Tennyson J.

J Mol Spectrosc. 1998 Jun;189(2):291-300.

PMID:
9647726
30.

High-Temperature Rotational Transitions of Water in Sunspot and Laboratory Spectra

Polyansky OL, Zobov NF, Viti S, Tennyson J, Bernath PF, Wallace L.

J Mol Spectrosc. 1997 Dec;186(2):422-47.

PMID:
9446777
31.

Water on the sun: line assignments based on variational calculations.

Polyansky OL, Zobov NF, Viti S, Tennyson J, Bernath PF, Wallace L.

Science. 1997 Jul 18;277(5324):346-8.

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