-
1
-
-
0141564755
-
H + H2 thermal reaction: A convergence of theory and experiment
-
doi:10.1103/Phys Rev Lett.91.063201
-
Mielke, S. L., Peterson, K. A., Schwenke, D. W., Garrett, B. C., Truhlar, D. G., Michael, J. V., Su, M. C. & Sutherland, J. W. 2003 H + H2 thermal reaction: a convergence of theory and experiment. Phys. Rev. Lett. 91, 063201. (doi:10.1103/Phys Rev Lett.91.063201)
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 063201
-
-
Mielke, S.L.1
Peterson, K.A.2
Schwenke, D.W.3
Garrett, B.C.4
Truhlar, D.G.5
Michael, J.V.6
Su, M.C.7
Sutherland, J.W.8
-
3
-
-
77955428918
-
Critical evaluation of the rotational-vibrational spectra of water vapor. II. Energy levels and transition wavenumbers for HD O HD O, and HD O
-
doi:10.1016/j.jqsrt.2010.06.012
-
Tennyson, J. et al. 2010 Critical evaluation of the rotational- vibrational spectra of water vapor. II. Energy levels and transition wavenumbers for HD O, HD O, and HD O. J. Quant. Spectrosc. Radiat. Transf. 111, 2160-2184. (doi:10.1016/j.jqsrt.2010.06.012)
-
(2010)
J. Quant. Spectrosc. Radiat. Transf.
, vol.111
, pp. 2160-2184
-
-
Tennyson, J.1
-
4
-
-
28344438109
-
-1 range
-
DOI 10.1063/1.2055247, 154307
-
Dupre, P., Germain, T., Zobov, N., Tolchenov, R. & Tennyson, J. 2005 Continuous wave: cavity ring down near ultraviolet rotation-vibration spectrum of water. J. Chem. Phys. 123, 154307. (doi:10.1063/1.2055247) (Pubitemid 41716922)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.15
, pp. 1-11
-
-
Dupre, P.1
Gherman, T.2
Zobov, N.F.3
Tolchenov, R.N.4
Tennyson, J.5
-
5
-
-
0010405286
-
Variational calculation of low-lying and excited vibrational levels of water molecule
-
doi:10.1016/0022-2852(76) 90026-6
-
Whitehead, R. J. & Handy, N. C. 1976 Variational calculation of low-lying and excited vibrational levels of water molecule. J. Mol. Spectrosc. 59, 459-469. (doi:10.1016/0022-2852(76) 90026-6)
-
(1976)
J. Mol. Spectrosc.
, vol.59
, pp. 459-469
-
-
Whitehead, R.J.1
Handy, N.C.2
-
6
-
-
0346034540
-
High-accuracy ab initio rotation-vibration transitions for water
-
DOI 10.1126/science.1079558
-
Polyansky, O. L., Császár, A. G., Shirin, S. V., Zobov, N. F., Barletta, P., Tennyson, J., Schwenke, D. W. & Knowles, P. J. 2003 High accuracy ab initio rotation-vibration transitions of water. Science 299, 539-542. (doi:10.1126/science.1079558) (Pubitemid 36135145)
-
(2003)
Science
, vol.299
, Issue.5606
, pp. 539-542
-
-
Polyansky, O.L.1
Csaszar, A.G.2
Shirin, S.V.3
Zobov, N.F.4
Barletta, P.5
Tennyson, J.6
Schwenke, D.W.7
Knowles, P.J.8
-
7
-
-
0038683810
-
Relativistic correction to the potential energy surface and vibration-rotation levels of water
-
PII S0009261498006976
-
Császár, A. G., Kain, J. S., Polyansky, O. L., Zobov, N. F. & Tennyson, J. 1998 Relativistic correction to the potential energy surface and vibration-rotation levels of water. Chem. Phys. Lett. 293, 317-323. (Pubitemid 128340802)
-
(1998)
Chemical Physics Letters
, vol.293
, Issue.3-4
, pp. 317-323
-
-
Csaszar, A.G.1
Kain, J.S.2
Polyansky, O.L.3
Zobov, N.F.4
Tennyson, J.5
-
8
-
-
0000023416
-
Erratum
-
[Erratum in Chem. Phys. Lett. 1999 312, 613-616.]
-
(1999)
Chem. Phys. Lett
, vol.312
, pp. 613-616
-
-
-
9
-
-
0035251116
-
Lamb shift effects in rotation-vibration spectra of water
-
doi:10.1103/Phys Rev A.63.024502
-
Pyykkö, P., Dyall, K. G., Császár, A. G., Tarczay, G., Polyansky, O. L. & Tennyson, J. 2001 Lamb shift effects in rotation-vibration spectra of water. Phys. Rev. A 63, 024502. (doi:10.1103/Phys Rev A.63.024502)
-
(2001)
Phys. Rev. A
, vol.63
, pp. 024502
-
-
Pyykkö, P.1
Dyall, K.G.2
Császár, A.G.3
Tarczay, G.4
Polyansky, O.L.5
Tennyson, J.6
-
10
-
-
0000092718
-
Two-electron relativistic corrections to the potential energy surface and vibration-rotation levels of water
-
DOI 10.1016/S0009-2614(01)00784-9, PII S0009261401007849
-
Quiney, H. M., Barletta, P., Tarczay, G., Császár, A. G., Polyansky, O. L. & Tennyson, J. 2001 Two-electron relativistic corrections to the potential energy surface and vibration-rotation levels of water. Chem. Phys. Lett. 344, 413-420. (doi:10.1016/S0009-2614(01)00784-9) (Pubitemid 33642327)
-
(2001)
Chemical Physics Letters
, vol.344
, Issue.3-4
, pp. 413-420
-
-
Quiney, H.M.1
Barletta, P.2
Tarczay, G.3
Csaszar, A.G.4
Polyansky, O.L.5
Tennyson, J.6
-
11
-
-
0035841892
-
Anatomy of relativistic energy corrections in light molecular systems
-
DOI 10.1080/00268970110073907
-
Tarczay, G., Császár, A. G., Klopper, W. & Quiney, H. M. 2001 Anatomy of relativistic energy corrections in light molecular systems. Mol. Phys. 99, 1769-1794. (doi:10.1080/00268970110073907 (Pubitemid 35227833)
-
(2001)
Molecular Physics
, vol.99
, Issue.21
, pp. 1769-1794
-
-
Tarczay, G.1
Csaszar, A.G.2
Klopper, W.3
Quiney, H.M.4
-
12
-
-
0036247371
-
The spectroscopy of water vapour: Experiment, theory and applications
-
doi:10.1039/b200372d
-
Bernath, P. F. 2002 The spectroscopy of water vapour: experiment, theory and applications. Phys. Chem. Chem. Phys 4, 1501-1509. (doi:10.1039/b200372d)
-
(2002)
Phys. Chem. Chem. Phys
, vol.4
, pp. 1501-1509
-
-
Bernath, P.F.1
-
13
-
-
77950927513
-
Ab initio prediction and partial characterization of the vibrational states of water up to dissociation
-
doi:10.1016/j. jqsrt.2010.02.009
-
Császár, A. G., Mátyus, E., Lodi, L., Zobov, N. F., Shirin, S. V., Polyansky, O. L. & Tennyson, J. 2010 Ab initio prediction and partial characterization of the vibrational states of water up to dissociation. J. Quant. Spectrosc. Radiat. Transf. 111, 1043-1064. (doi:10.1016/j. jqsrt.2010.02.009)
-
(2010)
J. Quant. Spectrosc. Radiat. Transf.
, vol.111
, pp. 1043-1064
-
-
Császár, A.G.1
Mátyus, E.2
Lodi, L.3
Zobov, N.F.4
Shirin, S.V.5
Polyansky, O.L.6
Tennyson, J.7
-
14
-
-
77956253634
-
Assigning quantum labels to variationally computed rotational-vibrational eigenstates of polyatomic molecules
-
doi:10.1063/1.3451075
-
Mátyus, E., Fábri, C., Szidarovszky, T., Czakó, G., Allen, W. D. & Császár, A. G. 2010 Assigning quantum labels to variationally computed rotational-vibrational eigenstates of polyatomic molecules. J. Chem. Phys. 133, 034113. (doi:10.1063/1.3451075)
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 034113
-
-
Mátyus, E.1
Fábri, C.2
Szidarovszky, T.3
Czakó, G.4
Allen, W.D.5
Császár, A.G.6
-
15
-
-
33646481064
-
A high-accuracy computed water line list
-
DOI 10.1111/j.1365-2966.2006.10184.x
-
Barber, R. J., Tennyson, J., Harris, G. J. & Tolchenov, R. N. 2006 A high accuracy computed water line list. Mon. Not. R. Astron. Soc. 368, 1087-1094. (doi:10.1111/j.1365-2966.2006. 10184.x) (Pubitemid 43701756)
-
(2006)
Monthly Notices of the Royal Astronomical Society
, vol.368
, Issue.3
, pp. 1087-1094
-
-
Barber, R.J.1
Tennyson, J.2
Harris, G.J.3
Tolchenov, R.N.4
-
16
-
-
0034296627
-
Convergence testing of the analytic representation of an ab initio dipole moment function for water: improved fitting yields improved intensities
-
DOI 10.1063/1.1311392
-
Schwenke, D. W. & Partridge, H. 2000 Convergence testing of the analytic representation of an ab initio dipole moment function for water: improved fitting yields improved intensities. J. Chem. Phys. 113, 6592-6597. (doi:10.1063/1.1311392) (Pubitemid 32027278)
-
(2000)
Journal of Chemical Physics
, vol.113
, Issue.16
, pp. 6592-6597
-
-
Schwenke, D.W.1
Partridge, H.2
-
18
-
-
34447527152
-
Water vapour in the atmosphere of a transiting extrasolar planet
-
DOI 10.1038/nature06002, PII NATURE06002
-
Tinetti, G. et al. 2007 Water vapour in the atmosphere of a transiting extrasolar planet. Nature 448, 169-171. (doi:10.1038/nature06002) (Pubitemid 47067380)
-
(2007)
Nature
, vol.448
, Issue.7150
, pp. 169-171
-
-
Tinetti, G.1
Vidal-Madjar, A.2
Liang, M.-C.3
Beaulieu, J.-P.4
Yung, Y.5
Carey, S.6
Barber, R.J.7
Tennyson, J.8
Ribas, I.9
Allard, N.10
Ballester, G.E.11
Sing, D.K.12
Selsis, F.13
-
19
-
-
36849113532
-
Determination of centrifugal distortion coefficients of asymmetric-top molecules
-
doi:10.1063/1.1840957
-
Watson, J. K. G. 1967 Determination of centrifugal distortion coefficients of asymmetric-top molecules. J. Chem. Phys. 46, 1935-1949. (doi:10.1063/1.1840957)
-
(1967)
J. Chem. Phys.
, vol.46
, pp. 1935-1949
-
-
Watson, J.K.G.1
-
20
-
-
0001688132
-
The barrier to linearity of water
-
doi:10.1063/1.479135
-
Tarczay, G., Császár, A. G., Klopper, W., Szalay, V., Allen, W. D. & Schaefer III, H. F. 1999 The barrier to linearity of water. J. Chem. Phys. 110, 11971. (doi:10.1063/1.479135
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 11971
-
-
Tarczay, G.1
Császár, A.G.2
Klopper, W.3
Szalay, V.4
Allen, W.D.5
Schaefer Iii., H.F.6
-
21
-
-
0035248820
-
Second-order Moller-Plesset limit for the barrier to linearity of water
-
DOI 10.1063/1.1346576
-
Valeev, E. F., Allen, W. D., Schaefer III, H. F. & Császár, A. G. 2001 The second-order Møller-Plesset limit for the barrier to linearity of water. J. Chem. Phys. 114, 2875-2878. (doi:10.1063/1.1346576) (Pubitemid 32253400)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.7
, pp. 2875-2878
-
-
Valeev, E.F.1
Allen, W.D.2
Schaefer III, H.F.3
Csaszar, A.G.4
-
23
-
-
0001945613
-
One-dimensional approximation of the effective rotational Hamiltonian of the ground state of the water molecule
-
doi:10.1016/0022-2852(85)90193-6
-
Polyansky, O. L. 1985 One-dimensional approximation of the effective rotational Hamiltonian of the ground state of the water molecule. J. Mol. Spectrosc. 112, 79-87. (doi:10.1016/0022-2852(85)90193-6
-
(1985)
J. Mol. Spectrosc.
, vol.112
, pp. 79-87
-
-
Polyansky, O.L.1
-
24
-
-
0000057540
-
Description of vibration-rotation energies of nonrigid triatomic molecules using the generating function method: Bending states and second triad of water
-
doi:10.1016/0022-2852(92)90010-L
-
Starikov, V. I., Tashkun, S. A. & Tyuterev, V. G. 1992 Description of vibration-rotation energies of nonrigid triatomic molecules using the generating function method: bending states and second triad of water. J. Mol. Spectrosc. 151, 130-147. (doi:10.1016/0022-2852(92)90010-L)
-
(1992)
J. Mol. Spectrosc.
, vol.151
, pp. 130-147
-
-
Starikov, V.I.1
Tashkun, S.A.2
Tyuterev, V.G.3
-
26
-
-
0001438113
-
-1
-
DOI 10.1006/jmsp.1996.0091
-
Polyansky, O. L., Busler, J. R., Guo, B. J., Zhang, K. Q. & Bernath, P. F. 1996 The emission spectrum of hot water in the region between 370 and 930cm. J. Mol. Spectrosc. 176, 305-315. (doi:10.1006/jmsp.1996.0091) (Pubitemid 126373174)
-
(1996)
Journal of Molecular Spectroscopy
, vol.176
, Issue.2
, pp. 305-315
-
-
Polyansky, O.L.1
Busler, J.R.2
Guo, B.3
Zhang, K.4
Bernath, P.F.5
-
27
-
-
0030820851
-
Water on the sun: Line assignments based on variational calculations
-
DOI 10.1126/science.277.5324.346
-
Polyansky, O. L., Zobov, N. F., Viti, S., Tennyson, J., Bernath, P. F. & Wallace, L. 1997 Water on the sun: line assignments based on variational calculations. Science 277, 346-349. (doi:10.1126/science.277.5324.346) (Pubitemid 27450701)
-
(1997)
Science
, vol.277
, Issue.5324
, pp. 346-348
-
-
Polyansky, O.L.1
Zobov, N.F.2
Viti, S.3
Tennyson, J.4
Bernath, P.F.5
Wallace, L.6
-
29
-
-
0010769410
-
The potential energy surface for the electronic ground state of the water molecule determined from experimental data using a variational approach
-
doi:10.1016/0022-2852(89)90203-8
-
Jensen, P. 1989 The potential energy surface for the electronic ground state of the water molecule determined from experimental data using a variational approach. J. Mol. Spectrosc. 133, 438-460. (doi:10.1016/0022- 2852(89)90203-8
-
(1989)
J. Mol. Spectrosc.
, vol.133
, pp. 438-460
-
-
Jensen, P.1
-
31
-
-
0029652458
-
Water on the sun
-
doi:10.1126/science.7761830
-
Wallace, L., Bernath, P. F., Livingston, W., Hinkle, K., Busler, J., Guo, B. J. & Zhang, K. Q. 1995 Water on the sun. Science 268, 1155-1158. (doi:10.1126/science.7761830
-
(1995)
Science
, vol.268
, pp. 1155-1158
-
-
Wallace, L.1
Bernath, P.F.2
Livingston, W.3
Hinkle, K.4
Busler, J.5
Guo, B.J.6
Zhang, K.Q.7
-
33
-
-
33749420348
-
Anharmonic force constant calculations
-
doi:10.1080/00268977200102361
-
Hoy, A. R., Mills, I. M. & Strey, G. 1972 Anharmonic force constant calculations. Mol. Phys. 24, 1265-1290. (doi:10.1080/00268977200102361
-
(1972)
Mol. Phys.
, vol.24
, pp. 1265-1290
-
-
Hoy, A.R.1
Mills, I.M.2
Strey, G.3
-
34
-
-
33745508406
-
A theoretical determination of the rovibrational energy levels of the water molecule
-
doi:10.1063/1.452887
-
Carter, S. & Handy, N. C. 1987 A theoretical determination of the rovibrational energy levels of the water molecule. J. Chem. Phys. 87, 4294-4301. (doi:10.1063/1.452887)
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 4294-4301
-
-
Carter, S.1
Handy, N.C.2
-
35
-
-
36549090773
-
Fermi resonances and local modes in water, hydrogen sulfide, and hydrogen selenide
-
doi:10.1063/1.453824
-
Halonen, L. & Carrington, T. 1988 Fermi resonances and local modes in water, hydrogen sulfide, and hydrogen selenide. J. Chem. Phys. 88, 4171-4185. (doi:10.1063/1.453824)
-
(1988)
J. Chem. Phys.
, vol.88
, pp. 4171-4185
-
-
Halonen, L.1
Carrington, T.2
-
36
-
-
0031094323
-
The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data
-
doi:10.1063/1.473987
-
Partridge, H. & Schwenke, D. W. 1997 The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data. J. Chem. Phys. 106, 4618-4639. (doi:10.1063/1.473987)
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 4618-4639
-
-
Partridge, H.1
Schwenke, D.W.2
-
38
-
-
34547365984
-
Approaching the full set of energy levels of water
-
DOI 10.1063/1.2748751
-
Maksyutenko, P., Zobov, N. F., Shirin, S. V., Polyansky, O. L., Muenter, J. S., Rizzo, T. R. & Boyarkin, O. V. 2007 Approaching the full set of energy levels of water. J. Chem. Phys. 126, 241101. (doi:10.1063/1.2748751) (Pubitemid 47141393)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.24
, pp. 241101
-
-
Maksyutenko, P.1
Muenter, J.S.2
Zobov, N.F.3
Shirin, S.V.4
Polyansky, O.L.5
Rizzo, T.R.6
Boyarkin, O.V.7
-
41
-
-
25944455163
-
K-band spectrum of water in sunspots
-
DOI 10.1086/316794
-
Polyansky, O. L., Zobov, N. F., Viti, S., Tennyson, J., Bernath, P. F. & Wallace, L. 1997 K band spectrumof water insunspots. Astrophys. J. 489, L205-L208. (doi:10.1086/316794) (Pubitemid 127148855)
-
(1997)
Astrophysical Journal
, vol.489
, Issue.2
-
-
Polyansky, O.L.1
Zobov, N.F.2
Viti, S.3
Tennyson, J.4
Bernath, P.F.5
Wallace, L.6
-
42
-
-
0000212041
-
Water vapor line assignments in the near infrared
-
Polyansky, O. L., Zobov, N. F., Viti, S. & Tennyson, J. 1998 Water vapour line assignments in the near infrared. J. Mol. Spectrosc. 189, 291-300. (doi:10.1006/jmsp.1998.7557 (Pubitemid 128637428)
-
(1998)
Journal of Molecular Spectroscopy
, vol.189
, Issue.2
, pp. 291-300
-
-
Polyansky, O.L.1
Zobov, N.F.2
Viti, S.3
Tennyson, J.4
-
43
-
-
0000845306
-
The near infrared, visible, and near ultraviolet overtone spectrum of water
-
Carleer, M. et al. 1999 The near infrared, visible and near ultraviolet overtone spectrum of water. J. Chem. Phys. 111, 2444-2450. (doi:10.1063/1. 479859) (Pubitemid 129643534)
-
(1999)
Journal of Chemical Physics
, vol.111
, Issue.6
, pp. 2444-2450
-
-
Carleer, M.1
Jenouvrier, A.2
Vandaele, A.-C.3
Bemath, P.F.4
Merienne, M.F.5
Colin, R.6
Zobov, N.F.7
Polyansky, O.L.8
Tennyson, J.9
Savin, V.A.10
-
44
-
-
0034688483
-
Using laboratory spectroscopy to identify lines in the K and L-band spectrum of water in a sunspot
-
doi:10.1086/308419
-
Zobov, N. F., Polyansky, O. L., Tennyson, J., Shirin, S. V., Nassar, R., Hirao, T., Imajo, T., Bernath, P. F. & Wallace, L. 2000 Using laboratory spectroscopy to identify lines in the K and L-band spectrum of water in a sunspot. Astrophys. J. 530, 994-998. (doi:10.1086/308419)
-
(2000)
Astrophys. J.
, vol.530
, pp. 994-998
-
-
Zobov, N.F.1
Polyansky, O.L.2
Tennyson, J.3
Shirin, S.V.4
Nassar, R.5
Hirao, T.6
Imajo, T.7
Bernath, P.F.8
Wallace, L.9
-
45
-
-
0034224769
-
The near ultraviolet rotation-vibration spectrum of water
-
doi:10.1063/1.481940
-
Zobov, N. F. et al. 2000 The near ultraviolet rotation-vibration spectrum of water. J. Chem. Phys. 113, 1546-1552. (doi:10.1063/1.481940)
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 1546-1552
-
-
Zobov, N.F.1
-
47
-
-
0034351922
-
New studies of the visible and near-infrared absorption by water vapour and some problems with the HITRAN database
-
doi:10.1029/2000GL011899
-
Belmiloud, D., Schermaul, R., Smith, K., Zobov, N. F., Brault, J., Learner, R. C. M., Newnham, D. A. & Tennyson, J. 2000 New studies of the visible and near-infrared absorption by water vapour and some problems with the HITRAN database. Geophys. Res. Lett. 27, 3703-3706. (doi:10.1029/2000GL011899)
-
(2000)
Geophys. Res. Lett.
, vol.27
, pp. 3703-3706
-
-
Belmiloud, D.1
Schermaul, R.2
Smith, K.3
Zobov, N.F.4
Brault, J.5
Learner, R.C.M.6
Newnham, D.A.7
Tennyson, J.8
-
48
-
-
0035527037
-
-1: Experimental and theoretical studies for a new spectral line database. II. Linelist construction
-
DOI 10.1006/jmsp.2001.8374
-
Schermaul, R., Learner, R. C. M., Newnham, D. A., Ballard, J., Zobov, N. F., Belmiloud, D. & Tennyson, J. 2001 The water vapor spectrum in the region 8600-15 000 cm": experimental and theoretical studies for a new spectral line database. II. Linelist construction. J. Mol. Spectrosc. 208, 43-50. (doi:10.1006/jmsp.2001.8374) (Pubitemid 32683325)
-
(2001)
Journal of Molecular Spectroscopy
, vol.208
, Issue.1
, pp. 43-50
-
-
Schermaul, R.1
Learner, R.C.M.2
Newnham, D.A.3
Ballard, J.4
Zobov, N.F.5
Belmiloud, D.6
Tennyson, J.7
-
49
-
-
0037587928
-
Laboratory spectroscopy of hot water near 2 microns and sunspot spectroscopy in the H-band region
-
DOI 10.1086/342167
-
Tereszchuk, K., Bernath, P. F., Zobov, N. F., Shirin, S. V., Polyansky, O. L., Libeskind, N. I., Tennyson, J. & Wallace, L. 2002 Laboratory spectroscopy of hot water near 2 microns and sunspot spectroscopy in the H-band region. Astrophys. J. 577, 496-500. (doi:10.1086/342167) (Pubitemid 37094926)
-
(2002)
Astrophysical Journal
, vol.577
, Issue.1
, pp. 496-500
-
-
Tereszchuk, K.1
Bernath, P.F.2
Zobov, N.F.3
Shirin, S.V.4
Polyansky, O.L.5
Libeskind, N.I.6
Tennyson, J.7
Wallace, L.8
-
50
-
-
22944455179
-
A 3000K laboratory emission spectrum of water
-
DOI 10.1063/1.1847571, 074307
-
Coheur, P.-F., Bernath, P. F., Carleer, M., Colin, R., Polyansky, O. L., Zobov, N. F., Shirin, S. V., Barber, R. J. & Tennyson, J. 2005 A 3200K laboratory emission spectrum of water. J. Chem. Phys. 122, 074307. (doi:10.1063/1.1847571) (Pubitemid 41042212)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.7
, pp. 1-8
-
-
Coheur, P.-F.1
Bernath, P.F.2
Carleer, M.3
Colin, R.4
Polyansky, O.L.5
Zobov, N.F.6
Shirin, S.V.7
Barber, R.J.8
Tennyson, J.9
-
51
-
-
28844447804
-
Monodromy in the water molecule
-
DOI 10.1016/j.cplett.2005.08.028, PII S0009261405011899
-
Zobov, N. F., Shirin, S. V., Polyansky, O. L., Tennyson, J., Coheur, P.-F., Bernath, P. F., Carleer, M. & Colin, R. 2005 Monodromy in the water molecule. Chem. Phys. Lett. 414, 193-197. (doi:10.1016/j.cplett.2005.08.028) (Pubitemid 41764940)
-
(2005)
Chemical Physics Letters
, vol.414
, Issue.1-3
, pp. 193-197
-
-
Zobov, N.F.1
Shirin, S.V.2
Polyansky, O.L.3
Tennyson, J.4
Coheur, P.-F.5
Bernath, P.F.6
Carleer, M.7
Colin, R.8
-
52
-
-
45249112546
-
Spectrum of hot water in the 4750-13 000cm frequency range
-
doi:10.1111/j.1365-2966.2008.13234.x
-
Zobov, N. F. et al. 2008 Spectrum of hot water in the 4750-13 000cm frequency range. Mon. Not. R. Astron. Soc. 387, 1093-1098. (doi:10.1111/j.1365- 2966.2008.13234.x)
-
(2008)
Mon. Not. R. Astron. Soc.
, vol.387
, pp. 1093-1098
-
-
Zobov, N.F.1
-
53
-
-
85034507044
-
2O and other systems: New insight into the level structure of quasi-linear molecules
-
2O and other systems: new insight into the level structures of quasi-linear molecules. Mol. Phys. 96, 371-379. (doi:10.1080/00268979909482971 (Pubitemid 129707381)
-
(1999)
Molecular Physics
, vol.96
, Issue.3
, pp. 371-379
-
-
Child, M.S.1
Weston, T.2
Tennyson, J.3
-
54
-
-
0035538402
-
Experimental energy levels of the water molecule
-
doi:10.1063/1.1364517
-
Tennyson, J., Zobov, N. F., Williamson, R., Polyansky, O. L. & Bernath, P. F. 2001 Experimental energy levels of the water molecule. J. Phys. Chem. Ref. Data 30, 735-831. (doi:10.1063/1.1364517)
-
(2001)
J. Phys. Chem. Ref. Data
, vol.30
, pp. 735-831
-
-
Tennyson, J.1
Zobov, N.F.2
Williamson, R.3
Polyansky, O.L.4
Bernath, P.F.5
-
55
-
-
34848865640
-
MARVEL: Measured active rotational-vibrational energy levels
-
DOI 10.1016/j.jms.2007.07.005, PII S0022285207002068
-
Furtenbacher, T., Császár, A. & Tennyson, J. 2007 MARVEL: measured active rotational-vibrational energy levels. J. Mol. Spectrosc. 245, 115-125. (doi:10.1016/j.jms.2007.07.005) (Pubitemid 47498448)
-
(2007)
Journal of Molecular Spectroscopy
, vol.245
, Issue.2
, pp. 115-125
-
-
Furtenbacher, T.1
Csaszar, A.G.2
Tennyson, J.3
-
57
-
-
0001257341
-
e of first-row diatomics
-
doi:10.1063/1.471008
-
e of first-row diatomics. J. Chem. Phys. 104, 2746-2748. (doi:10.1063/1.471008)
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2746-2748
-
-
Császár, A.G.1
Allen, W.D.2
-
58
-
-
0030603943
-
Vibration-rotation levels of water beyond the Born-Oppenheimer approximation
-
PII S000926149600872X
-
Zobov, N. F., Polyansky, O. L., Le Sueur, C. R. & Tennyson, J. 1996 Vibration-rotation levels of water beyond the Born-Oppenheimer approximation. Chem. Phys. Lett. 260, 381-387. (doi:10.1016/0009-2614(96)00872-X (Pubitemid 126169655)
-
(1996)
Chemical Physics Letters
, vol.260
, Issue.3-4
, pp. 381-387
-
-
Zobov, N.F.1
Polyansky, O.L.2
Le Sueur, C.R.3
Tennyson, J.4
-
60
-
-
0037936940
-
In pursuit of the ab initio limit for conformational energy prototypes
-
Császár, A. G., Allen, W. D. & Schaefer III, H. F. 1998 In pursuit of the ab initio limit for conformational energy prototypes. J. Chem. Phys. 108, 9751-9764. (doi:10.1063/1.476449) (Pubitemid 128598659)
-
(1998)
Journal of Chemical Physics
, vol.108
, Issue.23
, pp. 9751-9764
-
-
Csaszar, A.G.1
Allen, W.D.2
Schaefer III, H.F.3
-
61
-
-
33751567029
-
CVRQD ab initio ground-state adiabatic potential energy surfaces for the water molecule
-
DOI 10.1063/1.2378766
-
Barletta, P., Shirin, S. V., Zobov, N. F., Polyansky, O. L., Tennyson, J., Valeev, E. F. & Császár, A. G. 2006 CVRQD adiabatic ab initio ground-state potential surfaces for the water molecule. J. Chem. Phys. 125, 204307. (doi:10.1063/1.2378766) (Pubitemid 44847671)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.20
, pp. 204307
-
-
Barletta, P.1
Shirin, S.V.2
Zobov, N.F.3
Polyansky, O.L.4
Tennyson, J.5
Valeev, E.F.6
Csaszar, A.G.7
-
62
-
-
0001283065
-
The high-resolution spectrum of water vapor between 16 500 and 25 250cm
-
doi:10.1016/0022-2852(85)90131-6
-
Camy-Peyret, C., Flaud, J.-M., Mandin, J.-Y., Chevilard, J.-P., Brault, J., Ramsay, D. A. & Vervloet, M. 1985 The high-resolution spectrum of water vapor between 16 500 and 25 250cm. J. Mol. Spectrosc. 113, 208-228. (doi:10.1016/0022-2852(85)90131-6
-
(1985)
J. Mol. Spectrosc.
, vol.113
, pp. 208-228
-
-
Camy-Peyret, C.1
Flaud, J.-M.2
Mandin, J.-Y.3
Chevilard, J.-P.4
Brault, J.5
Ramsay, D.A.6
Vervloet, M.7
-
63
-
-
5744221776
-
DVR3D: A program suite for the calculation of rotation-vibration spectra of triatomic molecules
-
doi:10.1016/j.cpc.2003.10.003
-
Tennyson, J., Kostin, M. A., Barletta, P., Harris, G. J., Polyansky, O. L., Ramanlal, J. & Zobov, N. F. 2004 DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules. Comput. Phys. Commun. 163, 85-116. (doi:10.1016/j.cpc.2003.10.003)
-
(2004)
Comput. Phys. Commun.
, vol.163
, pp. 85-116
-
-
Tennyson, J.1
Kostin, M.A.2
Barletta, P.3
Harris, G.J.4
Polyansky, O.L.5
Ramanlal, J.6
Zobov, N.F.7
-
64
-
-
84860616089
-
State-resolved spectroscopy of high vibrational levels of water up to the dissociative continuum
-
doi:10.1098/rsta.2011.0277
-
Maksyutenko, P., Grechko, M., Rizzo, T. R. & Boyarkin, O. V. 2012 State-resolved spectroscopy of high vibrational levels of water up to the dissociative continuum. Phil. Trans. R. Soc. A 370, 2710-2727. (doi:10.1098/rsta.2011.0277
-
(2012)
Phil. Trans. R. Soc. A
, vol.370
, pp. 2710-2727
-
-
Maksyutenko, P.1
Grechko, M.2
Rizzo, T.R.3
Boyarkin, O.V.4
-
65
-
-
33750975049
-
A direct measurement of the dissociation energy of water
-
DOI 10.1063/1.2387163
-
Maksyutenko, P., Rizzo, T. R. & Boyarkin, O. V. 2006 A direct measurement of the dissociation energyof water. J. Chem. Phys. 125, 181101. (doi:10.1063/1.2387163) (Pubitemid 44749454)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.18
, pp. 181101
-
-
Maksyutenko, P.1
Rizzo, T.R.2
Boyarkin, O.V.3
-
66
-
-
72449145307
-
State-selective spectroscopy of water up to its first dissociation limit
-
doi:10.1063/1.3273207
-
Grechko, M. et al. 2009 State-selective spectroscopy of water up to its first dissociation limit. J. Chem. Phys. 131, 221105. (doi:10.1063/1.3273207)
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 221105
-
-
Grechko, M.1
-
67
-
-
0000796924
-
Calculation of the rotation-vibration states of water up to dissociation
-
DOI 10.1063/1.476519, PII S0021960698025483
-
Mussa, H. Y. & Tennyson, J. 1998 Calculation of rotation-vibration states of water at dissociation. J. Chem. Phys. 109, 10885-10892. (doi:10.1063/1.476519) (Pubitemid 128675137)
-
(1998)
Journal of Chemical Physics
, vol.109
, Issue.24
, pp. 10885-10892
-
-
Mussa, H.Y.1
Tennyson, J.2
-
68
-
-
79955473475
-
First-principles rotation-vibration spectrum of water above dissociation
-
doi:10.1016/j.cplett.2011.03.052
-
Zobov, N. F., Shirin, S. V., Lodi, L., Silva, B. C., Tennyson, J., Császár, A. G. & Polyansky, O. L. 2011 First-principles rotation-vibration spectrum of water above dissociation. Chem. Phys. Lett. 507, 48-51. (doi:10.1016/j.cplett.2011.03.052)
-
(2011)
Chem. Phys. Lett.
, vol.507
, pp. 48-51
-
-
Zobov, N.F.1
Shirin, S.V.2
Lodi, L.3
Silva, B.C.4
Tennyson, J.5
Császár, A.G.6
Polyansky, O.L.7
-
69
-
-
77956328589
-
Feshbach resonances in the water molecule revealed by state-selective spectroscopy
-
doi:10.1063/1.3472312
-
Grechko, M., Maksyutenko, P., Rizzo, T. R. & Boyarkin, O. V. 2010 Feshbach resonances in the water molecule revealed by state-selective spectroscopy. J. Chem. Phys. 133, 081103. (doi:10.1063/1.3472312)
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 081103
-
-
Grechko, M.1
Maksyutenko, P.2
Rizzo, T.R.3
Boyarkin, O.V.4
-
70
-
-
38849161601
-
A new ab initio ground-state dipole moment surface for the water molecule
-
DOI 10.1063/1.2817606
-
Lodi, L. et al. 2008 A new ab initio ground-state dipole moment surface for the water molecule. J. Chem. Phys. 128, 044304. (doi:10.1063/1.2817606) (Pubitemid 351191602)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.4
, pp. 044304
-
-
Lodi, L.1
Tolchenov, R.N.2
Tennyson, J.3
Lynas-Gray, A.E.4
Shirin, S.V.5
Zobov, N.F.6
Polyansky, O.L.7
Csaszar, A.G.8
Van Stralen, J.N.P.9
Visscher, L.10
-
71
-
-
0027719622
-
Calculation of resonance energies and widths using the complex absorbing potential method
-
doi:10.1088/0953-4075/26/23/021
-
Riss, U. V. & Meyer, H. D. 1993 Calculation of resonance energies and widths using the complex absorbing potential method. J. Phys. B: At. Mol. Opt. Phys. 26, 4503. (doi:10.1088/0953-4075/26/23/021
-
(1993)
J. Phys. B: At. Mol. Opt. Phys.
, vol.26
, pp. 4503
-
-
Riss, U.V.1
Meyer, H.D.2
-
73
-
-
38849110826
-
Potential energy surface of HDO up to 25 000 cm-1
-
DOI 10.1063/1.2806165
-
Yurchenko, S. N., Voronin, B. A., Tolchenov, R. N., Doss, N., Naumenko, O. V., Thiel, W. & Tennyson, J. 2008 Potential energy surface of HDO up to 25 000cm. J. Chem. Phys. 128, 044312. (doi:10.1063/1.2806165) (Pubitemid 351191610)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.4
, pp. 044312
-
-
Yurchenko, S.N.1
Voronin, B.A.2
Tolchenov, R.N.3
Doss, N.4
Naumenko, O.V.5
Thiel, W.6
Tennyson, J.7
-
75
-
-
0000528475
-
Infrared transition intensities for water: A comparison of ab initio and fitted dipole moment surfaces
-
doi:10.1006/jmsp.1995.1038
-
Lynas-Gray, A. E., Miller, S. & Tennyson, J. 1995 Infrared transition intensities for water: a comparison of ab initio and fitted dipole moment surfaces. J. Mol. Spectrosc. 169, 458-467. (doi:10.1006/jmsp.1995.1038)
-
(1995)
J. Mol. Spectrosc.
, vol.169
, pp. 458-467
-
-
Lynas-Gray, A.E.1
Miller, S.2
Tennyson, J.3
-
76
-
-
66049157762
-
Spectroscopic line parameters of water vapor for rotation-vibration transitions near 7180cm
-
doi:10.1103/Phys Rev A.79.052507
-
Lisak, D., Havey, D. K. & Hodges, J. T. 2009 Spectroscopic line parameters of water vapor for rotation-vibration transitions near 7180cm. Phys. Rev. A 79, 052507. (doi:10.1103/Phys Rev A.79.052507
-
(2009)
Phys. Rev. A
, vol.79
, pp. 052507
-
-
Lisak, D.1
Havey, D.K.2
Hodges, J.T.3
-
77
-
-
79960924229
-
A global, high accuracy ab initio dipole moment surface for the electronic ground state of the water molecule
-
doi:10.1063/1.3604934
-
Lodi, L., Tennyson, J. & Polyansky, O. L. 2011 A global, high accuracy ab initio dipole moment surface for the electronic ground state of the water molecule. J. Chem. Phys. 135, 034113. (doi:10.1063/1.3604934)
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 034113
-
-
Lodi, L.1
Tennyson, J.2
Polyansky, O.L.3
-
78
-
-
64449085988
-
The HITRAN 2008 molecular spectroscopic database
-
doi:10.1016/j.jqsrt.2009.02.013
-
Rothman, L. S. et al. 2009 The HITRAN 2008 molecular spectroscopic database. J. Quant. Spectrosc. Radiat. Transf. 110, 533-572. (doi:10.1016/j.jqsrt.2009.02.013)
-
(2009)
J. Quant. Spectrosc. Radiat. Transf.
, vol.110
, pp. 533-572
-
-
Rothman, L.S.1
-
79
-
-
0000951820
-
2O and HDO in the ground and excited vibrational states
-
doi:10.1063/1.460471
-
2O and HDO in the ground and excited vibrational states. J. Chem. Phys. 94, 5875-5882. (doi:10.1063/1.460471)
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 5875-5882
-
-
Shostak, S.L.1
Ebenstein, W.L.2
Muenter, J.S.3
-
80
-
-
0037047584
-
Dipole moments of highly vibrationally excited water
-
DOI 10.1126/science.1073731
-
Callegari, A., Theule, P., Tolchenov, R. N., Zobov, N. F., Polyansky, O. L., Tennyson, J., Muenter, J. S. & Rizzo, T. R. 2002 Dipole moments of highly vibrationally excited water. Science 297, 993-995. (doi:10.1126/science. 1073731) (Pubitemid 34856029)
-
(2002)
Science
, vol.297
, Issue.5583
, pp. 993-995
-
-
Callegari, A.1
Theule, P.2
Muenter, J.S.3
Tolchenov, R.N.4
Zobov, N.F.5
Polyansky, O.L.6
Tennyson, J.7
Rizzo, T.R.8
-
82
-
-
77957660131
-
An empirical formula to estimate off-diagonal adiabatic correctionstorotation-vibrationalenergylevels
-
doi:10.1007/s00214-009-0710-1
-
Alijah, A., Andrae, D. & Hinze, J. 2010 An empirical formula to estimate off-diagonal adiabatic correctionstorotation-vibrationalenergylevels. Theor. Chem. Acc. 127, 149-155. (doi:10.1007/s00214-009-0710-1)
-
(2010)
Theor. Chem. Acc.
, vol.127
, pp. 149-155
-
-
Alijah, A.1
Andrae, D.2
Hinze, J.3
-
83
-
-
84855656922
-
Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range
-
doi:10.1103/Phys Rev Lett.108.023002
-
Pavanello, M. et al. 2012 Precision measurements and computations of transition energies in rotationally cold triatomic hydrogen ions up to the midvisible spectral range. Phys. Rev. Lett. 108, 023002. (doi:10.1103/Phys Rev Lett.108.023002)
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 023002
-
-
Pavanello, M.1
|