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Record
1 of 21 |
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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
2 of 21 |
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Author(s): Ramesh, SG; Sibert, EL |
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Title: A study of the vibrations of
fluoroform with a sixth order nine-dimensional potential: a combined
perturbative-variational approach |
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Source: MOLECULAR PHYSICS, 103 (2-3):
149-162 JAN-FEB 2005 |
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Record
3 of 21 |
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Author(s): Czako, G; Furtenbacher, T;
Csaszar, AG; Szalay, V |
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Title: Variational vibrational
calculations using high-order anharmonic force fields |
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Source: MOLECULAR PHYSICS, 102 (23-24):
2411-2423 DEC 10 2004 |
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Record
4 of 21 |
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Author(s): Heyne, K; Nibbering, ETJ;
Elsaesser, T; Petkovic, M; Kuhn, O |
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Title: Cascaded energy redistribution
upon O-H stretching excitation in an intramolecular hydrogen bond |
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Source: JOURNAL OF PHYSICAL CHEMISTRY A,
108 (29): 6083-6086 JUL 22 2004 |
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Record
5 of 21 |
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Author(s): Cazzoli, G; Puzzarini, C; Gambi,
A |
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Title: Trans-1-chloro-2-fluoroethylene:
Microwave spectra and anharmonic force field |
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Source: JOURNAL OF CHEMICAL PHYSICS, 120
(14): 6495-6501 APR 8 2004 |
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Record
6 of 21 |
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Author(s): Csaszar, AG |
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Title: Molecular structures of
fluorinated cyclobutenes: A coupled-cluster investigation |
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Source: JOURNAL OF PHYSICAL CHEMISTRY A,
108 (11): 2002-2007 MAR 18 2004 |
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Record
7 of 21 |
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Author(s): Csaszar, AG; Leininger, ML;
Szalay, V |
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Title: The standard enthalpy of
formation of CH2 |
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Source: JOURNAL OF CHEMICAL PHYSICS, 118
(23): 10631-10642 JUN 15 2003 |
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Record
8 of 21 |
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Author(s): Stoppa, P; Charmet, AP;
Giorgianni, S; Ghersetti, S; Gambi, A |
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Title: Tunable diode laser spectroscopy
of cis-1,2-difluoroethylene: Rovibrational analysis of the nu(9) and
nu(5)+nu(10) bands and anharmonic force field |
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Source: JOURNAL OF PHYSICAL CHEMISTRY A,
107 (4): 474-479 JAN 30 2003 |
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Record
9 of 21 |
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Author(s): Moran, AM; Dreyer, J; Mukamel, S |
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Title: Ab initio simulation of the
two-dimensional vibrational spectrum of dicarbonylacetylacetonato rhodium(I) |
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Source: JOURNAL OF CHEMICAL PHYSICS, 118
(3): 1347-1355 JAN 15 2003 |
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Record
10 of 21 |
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Author(s): Gambi, A |
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Title: An improved anharmonic force
field of difluoromethanimine, F2C=NH |
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Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 216 (2): 508-514 DEC 2002 |
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Record
11 of 21 |
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Author(s): Gambi, A; Puzzarini, C; Cazzoli,
G; Dore, L; Palmieri, P |
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Title: The anharmonic force field of
(cis)-1-chloro-2-fluoroethylene |
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Source: MOLECULAR PHYSICS, 100 (22):
3535-3543 NOV 2002 |
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Record
12 of 21 |
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Author(s): Beckers, H; Bogey, M; Breidung,
J; Burger, H; Demaison, J; Drean, P; Paplewski, P; Thiel, W; Walters, A |
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Title: Millimeter-wave spectroscopy,
high-resolution infrared spectrum, ab initio calculations, and molecular
geometry of FPS |
|
Source: JOURNAL OF MOLECULAR
SPECTROSCOPY, 210 (2): 213-223 DEC 2001 |
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Record
13 of 21 |
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Author(s): Klopper, W; Samson, CCM;
Tarczay, G; Csaszar, AG |
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Title: Equilibrium inversion barrier of
NH3 from extrapolated coupled-cluster pair energies |
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Source: JOURNAL OF COMPUTATIONAL
CHEMISTRY, 22 (13): 1306-1314 OCT 2001 |
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Record
14 of 21 |
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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
15 of 21 |
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Author(s): Aarset, K; Csaszar, AG; Sibert,
EL; Allen, WD; Schaefer, HF; Klopper, W; Noga, J |
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Title: Anharmonic force field,
vibrational energies, and barrier to inversion of SiH3- |
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Source: JOURNAL OF CHEMICAL PHYSICS, 112
(9): 4053-4063 MAR 1 2000 |
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Record
16 of 21 |
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Author(s): Demaison, J; Margules, L;
Breidung, J; Thiel, W; Burger, H |
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Title: Ab initio anharmonic force
field, spectroscopic parameters and equilibrium structure of trifluorosilane |
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Source: MOLECULAR PHYSICS, 97 (9):
1053-1067 NOV 10 1999 |
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Record
17 of 21 |
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Author(s): Margules, L; Demaison, J; Boggs,
JE |
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Title: Equilibrium C-F bond length and
the structure of formyl fluoride, difluorocarbene, monofluoromethylene, and
difluoromethane |
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Source: JOURNAL OF PHYSICAL CHEMISTRY A,
103 (38): 7632-7638 SEP 23 1999 |
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Record
18 of 21 |
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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
19 of 21 |
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Author(s): Bailleux, S; Bogey, M; Demuynck,
C; Destombes, JL; Liu, YY; Csaszar, AG |
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Title: Ab initio study and
millimeter-wave spectroscopy of P2O |
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Source: JOURNAL OF CHEMICAL PHYSICS, 107
(20): 8317-8326 NOV 22 1997 |
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Record
20 of 21 |
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Author(s): Nielsen, IMB; Allen, WD;
Csaszar, AG; Schaefer, HF |
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Title: Toward resolution of the silicon
dicarbide (SiC2) saga: Ab initio excursions in the web of polytopism |
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Source: JOURNAL OF CHEMICAL PHYSICS, 107
(4): 1195-1211 JUL 22 1997 |
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Record
21 of 21 |
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Author(s): Csaszar, AG; Mills, IM |
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Title: Vibrational energy levels of
water |
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Source: SPECTROCHIMICA ACTA PART
A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 53 (8): 1101-1122 JUL 30 1997 |