Record 1 of 20 |
Author(s): Tennyson, J |
Title: Calculating the vibration-rotation spectrum
of water |
Source: PHYSICA SCRIPTA, 73 (1): C53-C56 JAN 2006 |
Record 2 of 20 |
Author(s): Csaszar, AG; Czako, G; Furtenbacher, T;
Tennyson, J; Szalay, V; Shirin, SV; Zobov, NF; Polyansky, OL |
Title: On equilibrium structures of the water
molecule |
Source: JOURNAL OF CHEMICAL PHYSICS, 122 (21): Art.
No. 214305 JUN 1 2005 |
Record 3 of 20 |
Author(s): Coriani, S; Helgaker, T; Jorgensen, P;
Klopper, W |
Title: A closed-shell coupled-cluster treatment of
the Breit-Pauli first-order relativistic energy correction |
Source: JOURNAL OF CHEMICAL PHYSICS, 121 (14):
6591-6598 OCT 8 2004 |
Record 4 of 20 |
Author(s): Valeev, EF; Allen, WD; Hernandez, R;
Sherrill, CD; Schaefer, HF |
Title: On the accuracy limits of orbital expansion
methods: Explicit effects of k-functions on atomic and molecular energies |
Source: JOURNAL OF CHEMICAL PHYSICS, 118 (19):
8594-8610 MAY 15 2003 |
Record 5 of 20 |
Author(s): Shirin, SV; Polyansky, OL; Zobov, NF;
Barletta, P; Tennyson, J |
Title: Spectroscopically determined potential
energy surface of (H2O)-O-16 up to 25 000 cm(-1) |
Source: JOURNAL OF CHEMICAL PHYSICS, 118 (5):
2124-2129 FEB 1 2003 |
Record 6 of 20 |
Author(s): Polyansky, OL; Csaszar, AG; Shirin, SV;
Zobov, NF; Barletta, P; Tennyson, J; Schwenke, DW; Knowles, PJ |
Title: High-accuracy ab initio rotation-vibration
transitions for water |
Source: SCIENCE, 299 (5606): 539-542 JAN 24 2003 |
Record 7 of 20 |
Author(s): Barletta, P; Csaszar, AG; Quiney, HM;
Tennyson, J |
Title: Higher-order relativistic corrections to the
vibration-rotation levels of H2S |
Source: CHEMICAL PHYSICS LETTERS, 361 (1-2):
121-128 JUL 24 2002 |
Record 8 of 20 |
Author(s): Bernath, PF |
Title: The spectroscopy of water vapour:
Experiment, theory and applications |
Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 4 (9):
1501-1509 2002 |
Record 9 of 20 |
Author(s): Tennyson, J; Barletta, P; Kostin, MA;
Polyansky, OL; Zobov, NF |
Title: Ab initio rotation-vibration energy levels
of triatomics to spectroscopic accuracy |
Source: SPECTROCHIMICA ACTA PART A-MOLECULAR AND
BIOMOLECULAR SPECTROSCOPY, 58 (4): 663-672 Sp. Iss. SI MAR 1 2002 |
Record 10 of 20 |
Author(s): Atkinson, IA; Law, MM |
Title: The anharmonic potential energy surface of
methyl fluoride |
Source: SPECTROCHIMICA ACTA PART A-MOLECULAR AND
BIOMOLECULAR SPECTROSCOPY, 58 (4): 873-885 Sp. Iss. SI MAR 1 2002 |
Record 11 of 20 |
Author(s): Tarczay, G; Csaszar, AG; Klopper, W;
Quiney, HM |
Title: Anatomy of relativistic energy corrections
in light molecular systems |
Source: MOLECULAR PHYSICS, 99 (21): 1769-1794 NOV
2001 |
Record 12 of 20 |
Author(s): Quiney, HM; Barletta, P; Tarczay, G;
Csaszar, AG; Polyansky, OL; Tennyson, J |
Title: Two-electron relativistic corrections to the
potential energy surface and vibration-rotation levels of water |
Source: CHEMICAL PHYSICS LETTERS, 344 (3-4):
413-420 AUG 24 2001 |
Record 13 of 20 |
Author(s): van Mourik, T; Harris, GJ; Polyansky,
OL; Tennyson, J; Csaszar, AG; Knowles, PJ |
Title: Ab initio global potential, dipole,
adiabatic, and relativistic correction surfaces for the HCN-HNC system |
Source: JOURNAL OF CHEMICAL PHYSICS, 115 (8):
3706-3718 AUG 22 2001 |
Record 14 of 20 |
Author(s): Tarczay, G; Csaszar, AG; Polyansky, OL;
Tennyson, J |
Title: Ab initio rovibrational spectroscopy of
hydrogen sulfide |
Source: JOURNAL OF CHEMICAL PHYSICS, 115 (3):
1229-1242 JUL 15 2001 |
Record 15 of 20 |
Author(s): Martin, JML |
Title: A fully ab initio potential curve of
near-spectroscopic quality for OH- ion: importance of connected quadruple
excitations and scalar relativistic effects |
Source: SPECTROCHIMICA ACTA PART A-MOLECULAR AND
BIOMOLECULAR SPECTROSCOPY, 57 (4): 875-885 Sp. Iss. SI MAR 15 2001 |
Record 16 of 20 |
Author(s): Pyykko, P; Dyall, KG; Csazar, AG;
Tarczay, G; Polyansky, OL; Tennyson, J |
Title: Estimation of Lamb-shift effects for
molecules: Application to the rotation-vibration spectra of water |
Source: PHYSICAL REVIEW A, 63 (2): Art. No. 024502
FEB 2001 |
Record 17 of 20 |
Author(s): Valeev, EF; Allen, WD; Schaefer, HF;
Csaszar, AG |
Title: The second-order Moller-Plesset limit for
the barrier to linearity of water |
Source: JOURNAL OF CHEMICAL PHYSICS, 114 (7):
2875-2878 FEB 15 2001 |
Record 18 of 20 |
Author(s): Naus, H; Ubachs, W; Levelt, PF;
Polyansky, OL; Zobov, NF; Tennyson, J |
Title: Cavity-ring-down spectroscopy on water vapor
in the range 555-604 nm |
Source: JOURNAL OF MOLECULAR SPECTROSCOPY, 205 (1):
117-121 JAN 2001 |
Record 19 of 20 |
Author(s): Tarczay, G; Csaszar, AG; Leininger, ML;
Klopper, W |
Title: The barrier to linearity of hydrogen
sulphide |
Source: CHEMICAL PHYSICS LETTERS, 322 (1-2):
119-128 MAY 12 2000 |
Record 20 of 20 |
Author(s): Kain, JS; Polyansky, OL; Tennyson, J |
Title: The ground-state potential energy surface of
water: barrier to linearity and its effect on the vibration-rotation levels |
Source: CHEMICAL PHYSICS LETTERS, 317 (3-5):
365-371 FEB 4 2000 |