화학공학소재연구정보센터
검색결과 : 6건
No. Article
1 Quantum reactive scattering calculations of cross sections and rate constants for the N(D-2)+O-2(X (3)Sigma(-)(g))-> O(P-3)+NO(X (2)Pi) reaction
Miquel I, Gonzalez M, Sayos R, Balint-Kurti GG, Gray SK, Goldfield EM
Journal of Chemical Physics, 118(7), 3111, 2003
2 Influence of collision energy on the N(D-2)+O-2 -> O(P-3)+NO reaction dynamics: A quasiclassical trajectory study involving four potential energy surfaces
Miquel I, Hernando J, Sayos R, Gonzalez M
Journal of Chemical Physics, 119(19), 10040, 2003
3 Ab initio, VTST and QCT study of the 3(2)A' potential energy surface implied in the N(D-2)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction
Gonzalez M, Miquel I, Sayos R
Chemical Physics Letters, 360(5-6), 521, 2002
4 VTST kinetics study of the N(D-2)+O-2(X-3 Sigma(-)(g)) -> NO(X-2 Pi)+O(P-3,D-1) reactions based on CASSCF and CASPT2 ab initio calculations including excited potential energy surfaces
Gonzalez M, Miquel I, Sayos R
Chemical Physics Letters, 335(3-4), 339, 2001
5 Ab initio, variational transition state theory and quasiclassical trajectory study on the lowest (2)A ' potential energy surface involved in the N(D-2)+O-2(X (3)Sigma(-)(g))-> O(P-3) plus NO(X (2)Pi) atmospheric reaction
Gonzalez M, Miquel I, Sayos R
Journal of Chemical Physics, 115(6), 2530, 2001
6 Ab initio, VTST, and QCT study of the 1(2)A('') potential energy surface of the N(D-2)+O-2(X-3 Sigma(-)(g))-> O(P-3)+NO(X-2 Pi) reaction
Gonzalez M, Miquel I, Sayos R
Journal of Chemical Physics, 115(19), 8838, 2001