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Record
1 of 30 |
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Author(s): Bernal, R; Lemus, R |
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Title: Algebraic local vibrational
spectroscopic description of formaldehyde |
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Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 235 (2): 218-234 FEB 2006 |
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Record
2 of 30 |
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Author(s): Csaszar, AG; Czako, G;
Furtenbacher, T; Tennyson, J; Szalay, V; Shirin, SV; Zobov, NF; Polyansky, OL |
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Title: On equilibrium structures of the
water molecule |
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Source: JOURNAL OF CHEMICAL PHYSICS, 122
(21): Art. No. 214305 JUN 1 2005 |
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Record
3 of 30 |
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Author(s): Coriani, S; Helgaker, T;
Jorgensen, P; Klopper, W |
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Title: A closed-shell coupled-cluster
treatment of the Breit-Pauli first-order relativistic energy correction |
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Source: JOURNAL OF CHEMICAL PHYSICS, 121
(14): 6591-6598 OCT 8 2004 |
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Record
4 of 30 |
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Author(s): Lemus, R |
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Title: Vibrational excitations in H2O
in the framework of a local model |
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Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 225 (1): 73-92 MAY 2004 |
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Record
5 of 30 |
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Author(s): Temelso, B; Valeev, EF;
Sherrill, CD |
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Title: A comparison of one-particle
basis set completeness, higher-order electron correlation, relativistic
effects, and adiabatic corrections for spectroscopic constants of BH, CH+,
and NW |
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Source: JOURNAL OF PHYSICAL CHEMISTRY A,
108 (15): 3068-3075 APR 15 2004 |
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Record
6 of 30 |
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Author(s): Valeev, EF; Allen, WD;
Hernandez, R; Sherrill, CD; Schaefer, HF |
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Title: On the accuracy limits of
orbital expansion methods: Explicit effects of k-functions on atomic and
molecular energies |
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Source: JOURNAL OF CHEMICAL PHYSICS, 118
(19): 8594-8610 MAY 15 2003 |
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Record
7 of 30 |
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Author(s): Schwenke, DW |
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Title: First principles prediction of
isotopic shifts in H2O |
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Source: JOURNAL OF CHEMICAL PHYSICS, 118
(15): 6898-6904 APR 15 2003 |
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Record
8 of 30 |
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Author(s): Polyansky, OL; Csaszar, AG;
Shirin, SV; Zobov, NF; Barletta, P; Tennyson, J; Schwenke, DW; Knowles, PJ |
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Title: High-accuracy ab initio
rotation-vibration transitions for water |
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Source: SCIENCE, 299 (5606): 539-542 JAN
24 2003 |
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Record
9 of 30 |
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Author(s): Henon, E; Cours, T; Tyuterev, VG |
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Title: A CASPT2 study of the dipole
moment surfaces of hydrogen sulphide molecule |
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Source: CHEMICAL PHYSICS LETTERS, 367
(3-4): 284-292 JAN 6 2003 |
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Record
10 of 30 |
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Author(s): Barletta, P; Csaszar, AG;
Quiney, HM; Tennyson, J |
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Title: Higher-order relativistic
corrections to the vibration-rotation levels of H2S |
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Source: CHEMICAL PHYSICS LETTERS, 361
(1-2): 121-128 JUL 24 2002 |
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Record
11 of 30 |
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Author(s): Lemus, R; Carvajal, M; Lopez-V,
JC; Frank, A |
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Title: Spectroscopic description of H2O
in the su(2) vibron model approximation |
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Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 214 (1): 52-68 JUL 2002 |
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Record
12 of 30 |
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Author(s): Bernath, PF |
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Title: The spectroscopy of water
vapour: Experiment, theory and applications |
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Source: PHYSICAL CHEMISTRY CHEMICAL
PHYSICS, 4 (9): 1501-1509 2002 |
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Record
13 of 30 |
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Author(s): Tennyson, J; Barletta, P;
Kostin, MA; Polyansky, OL; Zobov, NF |
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Title: Ab initio rotation-vibration
energy levels of triatomics to spectroscopic accuracy |
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Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 58 (4): 663-672 Sp. Iss. SI MAR 1
2002 |
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Record
14 of 30 |
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Author(s): Atkinson, IA; Law, MM |
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Title: The anharmonic potential energy
surface of methyl fluoride |
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Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 58 (4): 873-885 Sp. Iss. SI MAR 1
2002 |
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Record
15 of 30 |
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Author(s): Li, GH; Guo, H |
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Title: The vibrational level spectrum
of H2O((X)over-tilde(1)A ') from the Partridge-Schwenke potential up to the
dissociation limit |
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Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 210 (1): 90-97 NOV 2001 |
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Record
16 of 30 |
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Author(s): Tarczay, G; Csaszar, AG;
Klopper, W; Quiney, HM |
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Title: Anatomy of relativistic energy
corrections in light molecular systems |
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Source: MOLECULAR PHYSICS, 99 (21):
1769-1794 NOV 2001 |
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Record
17 of 30 |
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Author(s): Quiney, HM; Barletta, P;
Tarczay, G; Csaszar, AG; Polyansky, OL; Tennyson, J |
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Title: Two-electron relativistic
corrections to the potential energy surface and vibration-rotation levels of
water |
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Source: CHEMICAL PHYSICS LETTERS, 344
(3-4): 413-420 AUG 24 2001 |
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Record
18 of 30 |
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Author(s): van Mourik, T; Harris, GJ;
Polyansky, OL; Tennyson, J; Csaszar, AG; Knowles, PJ |
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Title: Ab initio global potential,
dipole, adiabatic, and relativistic correction surfaces for the HCN-HNC
system |
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Source: JOURNAL OF CHEMICAL PHYSICS, 115
(8): 3706-3718 AUG 22 2001 |
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Record
19 of 30 |
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Author(s): Tarczay, G; Csaszar, AG;
Polyansky, OL; Tennyson, J |
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Title: Ab initio rovibrational
spectroscopy of hydrogen sulfide |
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Source: JOURNAL OF CHEMICAL PHYSICS, 115
(3): 1229-1242 JUL 15 2001 |
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Record
20 of 30 |
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Author(s): Pyykko, P; Dyall, KG; Csazar,
AG; Tarczay, G; Polyansky, OL; Tennyson, J |
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Title: Estimation of Lamb-shift effects
for molecules: Application to the rotation-vibration spectra of water |
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Source: PHYSICAL REVIEW A, 63 (2): Art.
No. 024502 FEB 2001 |
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Record
21 of 30 |
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Author(s): Valeev, EF; Allen, WD; Schaefer,
HF; Csaszar, AG |
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Title: The second-order Moller-Plesset
limit for the barrier to linearity of water |
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Source: JOURNAL OF CHEMICAL PHYSICS, 114
(7): 2875-2878 FEB 15 2001 |
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Record
22 of 30 |
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Author(s): Naus, H; Ubachs, W; Levelt, PF;
Polyansky, OL; Zobov, NF; Tennyson, J |
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Title: Cavity-ring-down spectroscopy on
water vapor in the range 555-604 nm |
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Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 205 (1): 117-121 JAN 2001 |
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Record
23 of 30 |
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Author(s): Grant, IP; Quiney, HM |
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Title: Application of relativistic
theories and quantum electrodynamics to chemical problems |
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Source: INTERNATIONAL JOURNAL OF QUANTUM
CHEMISTRY, 80 (3): 283-297 NOV 5 2000 |
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Record
24 of 30 |
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Author(s): Chen, P; Pearson, JC; Pickett,
HM; Matsuura, S; Blake, GA |
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Title: Submillimeter-wave measurements
and analysis of the ground and v(2)=1 states of water |
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Source: ASTROPHYSICAL JOURNAL SUPPLEMENT
SERIES, 128 (1): 371-385 MAY 2000 |
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Record
25 of 30 |
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Author(s): Zobov, NF; Belmiloud, D;
Polyansky, OL; Tennyson, J; Shirin, SV; Carleer, M; Jenouvrier, A; Vandaele,
AC; Bernath, PF; Merienne, MF; Colin, R |
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Title: The near ultraviolet
rotation-vibration spectrum of water |
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Source: JOURNAL OF CHEMICAL PHYSICS, 113
(4): 1546-1552 JUL 22 2000 |
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Record
26 of 30 |
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Author(s): Tarczay, G; Csaszar, AG;
Leininger, ML; Klopper, W |
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Title: The barrier to linearity of
hydrogen sulphide |
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Source: CHEMICAL PHYSICS LETTERS, 322
(1-2): 119-128 MAY 12 2000 |
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Record
27 of 30 |
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Author(s): Kain, JS; Polyansky, OL;
Tennyson, J |
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Title: The ground-state potential
energy surface of water: barrier to linearity and its effect on the
vibration-rotation levels |
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Source: CHEMICAL PHYSICS LETTERS, 317
(3-5): 365-371 FEB 4 2000 |
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Record
28 of 30 |
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Author(s): Csaszar, AG; Kain, JS;
Polyansky, OL; Zobov, NF; Tennyson, J |
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Title: Relativistic correction to the
potential energy surface and vibration-rotation levels of water (vol 293, pg
317, 1998) |
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Source: CHEMICAL PHYSICS LETTERS, 312
(5-6): 613-616 OCT 29 1999 |
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Record
29 of 30 |
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Author(s): Tarczay, G; Csaszar, AG;
Klopper, W; Szalay, V; Allen, WD; Schaefer, HF |
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Title: The barrier to linearity of
water |
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Source: JOURNAL OF CHEMICAL PHYSICS, 110
(24): 11971-11981 JUN 22 1999 |
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Record
30 of 30 |
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Author(s): Polyansky, OL; Tennyson, J;
Zobov, NF |
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Title: Spectroscopy from first
principles: a breakthrough in water line assignments |
|
Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 55 (3): 659-693 MAR 1999 |