Record 1 of 14

Author(s): Tarczay, G; Miller, TA; Czako, G; Csaszar, AG

Title: Accurate ab initio determination of spectroscopic and thermochemical properties of mono- and dichlorocarbenes

Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 7 (15): 2881-2893 2005

Record 2 of 14

Author(s): Schuurman, MS; Allen, WD; Schaefer, HF

Title: The ab initio limit quartic force field of BH3

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, 26 (11): 1106-1112 AUG 2005

Record 3 of 14

Author(s): Schuurman, MS; Allen, WD; Schleyer, PV; Schaefer, HF

Title: The highly anharmonic BH5 potential energy surface characterized in the ab initio limit

Source: JOURNAL OF CHEMICAL PHYSICS, 122 (10): Art. No. 104302 MAR 8 2005

Record 4 of 14

Author(s): Czako, G; Furtenbacher, T; Csaszar, AG; Szalay, V

Title: Variational vibrational calculations using high-order anharmonic force fields

Source: MOLECULAR PHYSICS, 102 (23-24): 2411-2423 DEC 10 2004

Record 5 of 14

Author(s): Allen, WD; Czinki, E; Csaszar, AG

Title: Molecular structure of proline

Source: CHEMISTRY-A EUROPEAN JOURNAL, 10 (18): 4512-4517 SEP 20 2004

Record 6 of 14

Author(s): DeKock, RL; McGuire, MJ; Piecuch, P; Allen, WD; Schaefer, HF; Kowalski, K; Kucharski, SA; Musial, M; Bonner, AR; Spronk, SA; Lawson, DB; Laursen, SL

Title: The electronic structure and vibrational spectrum of trans-HNOO

Source: JOURNAL OF PHYSICAL CHEMISTRY A, 108 (15): 2893-2903 APR 15 2004

Record 7 of 14

Author(s): Liu, ML; Lee, CL; Bezant, A; Tarczay, G; Clark, RJ; Miller, TA; Chang, BC

Title: Dispersed fluorescence spectra of the CCl2 (A)over-tilde-(X)over-tilde vibronic bands

Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 5 (7): 1352-1358 2003

Record 8 of 14

Author(s): Gambi, A

Title: An improved anharmonic force field of difluoromethanimine, F2C=NH

Source: JOURNAL OF MOLECULAR SPECTROSCOPY, 216 (2): 508-514 DEC 2002

Record 9 of 14

Author(s): Gambi, A; Puzzarini, C; Cazzoli, G; Dore, L; Palmieri, P

Title: The anharmonic force field of (cis)-1-chloro-2-fluoroethylene

Source: MOLECULAR PHYSICS, 100 (22): 3535-3543 NOV 2002

Record 10 of 14

Author(s): Liu, XY; Bouherour, S; Jacobsen, H; Schmalle, HW; Berke, H

Title: The interaction of Lewis acidic boron derivatives with Re(CO)(5-n)H(PMe3)(n) complexes

Source: INORGANICA CHIMICA ACTA, 330: 250-267 MAR 13 2002

Record 11 of 14

Author(s): Frapper, G; Pelissier, M; Hafner, J

Title: CO adsorption on molybdenum nitride's gamma-Mo2N(100) surface: Formation of N=C=O species? A density functional study

Source: JOURNAL OF PHYSICAL CHEMISTRY B, 104 (50): 11972-11976 DEC 21 2000

Record 12 of 14

Author(s): Aarset, K; Csaszar, AG; Sibert, EL; Allen, WD; Schaefer, HF; Klopper, W; Noga, J

Title: Anharmonic force field, vibrational energies, and barrier to inversion of SiH3-

Source: JOURNAL OF CHEMICAL PHYSICS, 112 (9): 4053-4063 MAR 1 2000

Record 13 of 14

Author(s): Herman, M; Lievin, J; Vander Auwera, J; Campargue, A

Title: Advances in chemical physics - Global and accurate vibration Hamiltonians from high-resolution molecular spectroscopy - General introduction

Source: ADVANCES IN CHEMICAL PHYSICS, VOL 108, 108: 1-+ 1999


Record 14 of 14

Author(s): Csaszar, AG; Mills, IM

Title: Vibrational energy levels of water