화학공학소재연구정보센터
검색결과 : 13건
No. Article
1 Accurate Potential Energy Surface for Quartet State HN2 and Interplay of N(S-4) plus NH(X-3 Sigma(-)) versus H + N-2(A(3)Sigma(+)(u)) Reactions
Mota VC, Galvao BRL, Coura DVB, Varandas AJC
Journal of Physical Chemistry A, 124(5), 781, 2020
2 A trajectory surface hopping study of N-2(A(3)Sigma(+)(u)) quenching by H atoms
Borges YG, Galvao BRL, Mota VC, Varandas AJC
Chemical Physics Letters, 729, 61, 2019
3 Quasiclassical Study of the C(P-3) + NO(X-2 Pi) and O(P-3) + CN(X-2 Sigma(+)) Collisional Processes on an Accurate DMBE Potential Energy Surface
Alves MV, Goncalves CEM, Braga JP, Mota VC, Varandas AJC, Galvao BRL
Journal of Physical Chemistry A, 123(33), 7195, 2019
4 The O plus NO(v) Vibrational Relaxation Processes Revisited
Caridade PJSB, Li J, Mota VC, Varandas AJC
Journal of Physical Chemistry A, 122(24), 5299, 2018
5 Accurate Explicit-Correlation-MRCI-Based DMBE Potential-Energy Surface for Ground-State CNO
Goncalves CEM, Galvao BRL, Mota VC, Braga JP, Varandas AJC
Journal of Physical Chemistry A, 122(16), 4198, 2018
6 Modeling cusps in adiabatic potential energy surfaces using a generalized Jahn-Teller coordinate
Galvao BRL, Mota VC, Varandas AJC
Chemical Physics Letters, 660, 55, 2016
7 Modeling Cusps in Adiabatic Potential Energy Surfaces
Galvao BRL, Mota VC, Varandas AJC
Journal of Physical Chemistry A, 119(8), 1415, 2015
8 Single-Sheeted Double Many-Body Expansion Potential Energy Surface for Ground-State ClO2
Teixeira OBM, Mota VC, de la Vega JMG, Varandas AJC
Journal of Physical Chemistry A, 118(26), 4851, 2014
9 Dynamics of the O plus CIO Reaction: Reactive and Vibrational Relaxation Processes
Teixeira OBM, Caridade PJSB, Mota VC, de la Vega JMG, Varandas AJC
Journal of Physical Chemistry A, 118(51), 12120, 2014
10 Ab Initio-Based Global Double Many-Body Expansion Potential Energy Surface for the First (2)A'' Electronic State of NO2
Mota VC, Caridade PJSB, Varandas AJC
Journal of Physical Chemistry A, 116(11), 3023, 2012