화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Photoinduced Formation of H-Bonded Ion Pair in HCFC-133a
Rodrigues GP, de Lima TML, de Andrade RB, Ventura E, do Monte SA, Barbatti M
Journal of Physical Chemistry A, 123(10), 1953, 2019
2 Photochemistry of CH3Cl: Dissociation and CH center dot center dot center dot Cl Hydrogen Bond Formation
de Medeiros VC, de Andrade RB, Leitao EFV, Ventura E, Bauerfeldt GF, Barbatti M, do Monte SA
Journal of the American Chemical Society, 138(1), 272, 2016
3 Photochemical Deactivation Process of HCFC-133a (C2H2F3CI): A Nonadiabatic Dynamics Study
Rodrigues GP, Ventura E, do Monte SA, Barbatti M
Journal of Physical Chemistry A, 118(51), 12041, 2014
4 CASSCF and MR-CISD study of the n-4s and n-4pe Rydberg states of the CF3Cl
de Medeiros VC, Ventura E, do Monte SA
Chemical Physics Letters, 546, 30, 2012
5 Matrix Isolation FTIR Spectroscopic and Theoretical Study of 3,3-Dichloro-1,1,1-Trifluoropropane (HCFC-243)
Lucena JR, Sharma A, Reva ID, Araujo RMCU, Ventura E, do Monte SA, Braga CF, Ramos MN, Fausto R
Journal of Physical Chemistry A, 112(46), 11641, 2008
6 Synthesis and conformational study of a new class of highly bioactive compounds
Filho EBA, Ventura E, do Monte SA, Oliveira BG, Junior CGL, Rocha GB, Vasconcellos MLAA
Chemical Physics Letters, 449(4-6), 336, 2007
7 The valence-excited states T-1-T-4 and S-1-S-2 of acetylene: A high-level MR-CISD and MR-AQCC investigation of stationary points, potential energy surfaces, and surface crossings
Ventura E, Dallos M, Lischka H
Journal of Chemical Physics, 118(4), 1702, 2003
8 Revisiting the stationary points on the potential energy surface of tetramethylene at the MR-AQCC level using analytic gradients
Ventura E, Dallos M, Lischka H
Journal of Chemical Physics, 118(24), 10963, 2003
9 Cope rearrangement of 1,5-hexadiene: Full geometry optimizations using analytic MR-CISD and MR-AQCC gradient methods
Ventura E, do Monte SA, Dallos M, Lischka H
Journal of Physical Chemistry A, 107(8), 1175, 2003
10 Exact topological twistons in crystalline polyethylene
Ventura E, Simas AM, Bazeia D
Chemical Physics Letters, 320(5-6), 587, 2000