화학공학소재연구정보센터
검색결과 : 4건
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 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
3 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
4 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