화학공학소재연구정보센터
검색결과 : 4건
No. Article
1 Calculation of the rovibrational partition function using classical methods with quantum corrections
Prudente FV, Riganelli A, Varandas AJC
Journal of Physical Chemistry A, 105(21), 5272, 2001
2 On the rovibrational partition function of molecular hydrogen at high temperatures
Riganelli A, Prudente FV, Varandas AJC
Journal of Physical Chemistry A, 105(41), 9518, 2001
3 Is there a barrier for the C-2v insertion reaction in O(D-1)+H-2? A test dynamics study based on two-valued energy-switching potential energy surfaces
Varandas AJC, Voronin AI, Caridade PJSB, Riganelli A
Chemical Physics Letters, 331(2-4), 331, 2000
4 Monte Carlo simulation approach to internal partition functions for van der Waals molecules
Riganelli A, Wang W, Varandas AJC
Journal of Physical Chemistry A, 103(41), 8303, 1999