검색결과 : 8건
No. | Article |
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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 |