화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials
Albernaz AF, Aquilanti V, Barreto PRP, Caglioti C, Cruz ACPS, Grossi G, Lombardi A, Palazzetti F
Journal of Physical Chemistry A, 120(27), 5315, 2016
2 Thermal Rate Constant Calculation of the NF plus F Reactive System Multiple Arrangements
Ramalho SS, da Cunha WF, Barreto PRP, Neto PHO, Roncaratti LF, Silva GME, Gargano R
Journal of Physical Chemistry A, 115(29), 8248, 2011
3 A Computational Investigation of the Multiple Channels of the NF2 + F Reaction
Ramalho SS, Barreto PRP, Martins JBL, Silva GME, Gargano R
Journal of Physical Chemistry A, 113(52), 14336, 2009
4 Potential Energy Surface for the H2O-H-2 System
Barreto PRP, Ribas VW, Palazzetti F
Journal of Physical Chemistry A, 113(52), 15047, 2009
5 Orthogonal Coordinates and Hyperquantization Algorithm. The NH3 and H3O+ Umbrella Inversion Levels
Ragni M, Lombardi A, Barreto PRP, Bitencourt ACP
Journal of Physical Chemistry A, 113(52), 15355, 2009
6 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
7 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
8 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