Isomers on the 'ANTPOT. 1'['H IND. 4', C, S] potential energy surface: a CCSD(T) investigation (2011)
- Authors:
- USP affiliated authors: ORNELLAS, FERNANDO REI - IQ
- Unidades: IQ
- Subjects: ISÔMERO; FÍSICO-QUÍMICA
- Language: Inglês
- Imprenta:
- Place of publication: Santiago de Compostela
- Date published: 2011
- Source:
- Título do periódico: Abstracts
- Conference title: Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)
-
ABNT
ALVES, Tiago Vinicius; ORNELLAS, Fernando Rei. Isomers on the 'ANTPOT. 1'['H IND. 4', C, S] potential energy surface: a CCSD(T) investigation. Anais.. Santiago de Compostela: [s.n.], 2011. -
APA
Alves, T. V., & Ornellas, F. R. (2011). Isomers on the 'ANTPOT. 1'['H IND. 4', C, S] potential energy surface: a CCSD(T) investigation. In Abstracts. Santiago de Compostela. -
NLM
Alves TV, Ornellas FR. Isomers on the 'ANTPOT. 1'['H IND. 4', C, S] potential energy surface: a CCSD(T) investigation. Abstracts. 2011 ; -
Vancouver
Alves TV, Ornellas FR. Isomers on the 'ANTPOT. 1'['H IND. 4', C, S] potential energy surface: a CCSD(T) investigation. Abstracts. 2011 ; - A theoretical exploration of new species on the (1)[H, Se, I] potential energy surface: energetics, structures, IR spectra, and heats of formation
- Metastable 'BR''O POT. 2+' and 'N'BR POT. 2+' molecules in the gas phase
- A CASSCF/MRCI study of the low-lying electronic states of the 'BE''S' molecule
- The use of pekeris coordinates in the construction of potential energy surfaces
- Full-dimensional analytical ab initio potential energy surface of the ground state of HOI
- Isomers on the 'ANTPOT. 1'['H IND. 3', C, F] potential energy surface: a CCSD(T) investigation
- Characterizing new molecular species on the [H, Se, Br] singlet potential energy surface
- Theoretical chemistry: current applications to photochemistry and thermochemistry
- Simulacao da interacao edulcorante - receptor atraves do modelo da supermolecula ; um estudo ab initio
- Estudo do truncamento de uma funcao de onda interacao de configuracoes completa no calculo da energia, e dos momentos de dipolo e transicao das moleculas 'LI'h, 'BE''H POT.+' E 'BE'h
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