화학공학소재연구정보센터
검색결과 : 12건
No. Article
1 High Accuracy ab initio Calculations of Rotational-Vibrational Levels of the HCN/HNC System
Makhnev VY, Kyuberis AA, Zobov NF, Lodi L, Tennyson J, Polyansky OL
Journal of Physical Chemistry A, 122(5), 1326, 2018
2 Dissociation threshold of (H2O)-O-18: Validating ab initio calculations by state-selective triple-resonance spectroscopy
Makarov DS, Koshelev MA, Zobov NF, Boyarkin OV
Chemical Physics Letters, 627, 73, 2015
3 Accurate bond dissociation energy of water determined by triple-resonance vibrational spectroscopy and ab initio calculations
Boyarkin OV, Koshelev MA, Aseev O, Maksyutenko P, Rizzo TR, Zobov NF, Lodi L, Tennyson J, Polyansky OL
Chemical Physics Letters, 568, 14, 2013
4 Calculation of Rotation-Vibration Energy Levels of the Water Molecule with Near-Experimental Accuracy Based on an ab Initio Potential Energy Surface
Polyansky OL, Ovsyannikov RI, Kyuberis AA, Lodi L, Tennyson J, Zobov NF
Journal of Physical Chemistry A, 117(39), 9633, 2013
5 First-principles rotation-vibration spectrum of water above dissociation
Zobov NF, Shirin SV, Lodi L, Silva BC, Tennyson J, Csaszar AG, Polyansky OL
Chemical Physics Letters, 507(1-3), 48, 2011
6 Collisionally Assisted Spectroscopy of Water from 27 000 to 34 000 cm(-1)
Grechko M, Maksyutenko P, Zobov NF, Shirin SV, Polyansky OL, Rizzo TR, Boyarkin OV
Journal of Physical Chemistry A, 112(42), 10539, 2008
7 Monodromy in the water molecule
Zobov NF, Shirin SV, Polyansky OL, Tennyson J, Coheur PF, Bernath PF, Carleer M, Colin R
Chemical Physics Letters, 414(1-3), 193, 2005
8 Analysis of hot D2O emission using spectroscopically determined potentials
Shirin SV, Zobov NF, Polyansky OL, Tennyson J, Parekunnel T, Bernath PF
Journal of Chemical Physics, 120(1), 206, 2004
9 Spectroscopically determined potential energy surface of (H2O)-O-16 up to 25 000 cm(-1)
Shirin SV, Polyansky OL, Zobov NF, Barletta P, Tennyson J
Journal of Chemical Physics, 118(5), 2124, 2003
10 The near ultraviolet rotation-vibration spectrum of water
Zobov NF, Belmiloud D, Polyansky OL, Tennyson J, Shirin SV, Carleer M, Jenouvrier A, Vandaele AC, Bernath PF, Merienne MF, Colin R
Journal of Chemical Physics, 113(4), 1546, 2000