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