화학공학소재연구정보센터
검색결과 : 5건
No. Article
1 Theoretical Study of CH4-CH4, CHF3-CH4, CH4-H2O, and CHF3-H2O Dimers
Martins JBL, Politi JRS, Garcia E, Vilela AFA, Gargano R
Journal of Physical Chemistry A, 113(52), 14818, 2009
2 The hydrogen peroxide-rare gas systems: Quantum chemical calculations and hyperspherical harmonic representation of the potential energy surface for atom-floppy molecule interactions
Barreto PRP, Vilela AFA, Lombardi A, Maciel GS, Palazzetti F, Aquilanti V
Journal of Physical Chemistry A, 111(49), 12754, 2007
3 Ab initio studies of hydrogen-bonded complexes: The H2O dimer, trimer and H2O-CO
Vilela AFA, Barreto PRP, Gargano R, Cunha CRM
Chemical Physics Letters, 427(1-3), 29, 2006
4 Theoretical rate constants for the reaction BF2+NF=BF3+N of importance in boron nitride chemistry
Ramalho SS, Vilela AFA, Barreto PRP, Gargano R
Chemical Physics Letters, 413(1-3), 151, 2005
5 Fitting potential energy surface for reactive scattering dynamics through generalized simulated annealing
Vilela AFA, Neto JJS, Mundim KC, Mundim MSP, Gargano R
Chemical Physics Letters, 359(5-6), 420, 2002