Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Klaus Franzreb"'
Publikováno v:
Physical chemistry chemical physics : PCCP. 23(24)
Accurate potential energy curves were constructed for a manifold of electronic states of the hydroxyl dication using a highly correlated electronic structure approach (SA-CASSCF/MRCI+Q/aug-cc-pV5Z). The existence of a bound (meta)stable ground state
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
Accurate potential energy curves were constructed for a manifold of electronic states of the hydroxyl dication using a highly correlated electronic structure approach (SA-CASSCF/MRCI+Q/aug-cc-pV5Z). The existence of a bound (meta)stable ground state
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c0fee258fd98015a2b5adda23738ee07
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
High-level ab initio calculations - state-averaged CASSCF/MRCI/aug-cc-pV5Z) - were carried out to construct potential energy curves for a manifold of electronic states of the dication CrO2+ covering regions from equilibrium to the dissociation limit,
Publikováno v:
The Journal of chemical physics. 148(12)
A high level theoretical investigation of the low-lying electronic states of the diatomic dications SrO
Publikováno v:
Rapid Communications in Mass Spectrometry. 28:2211-2216
RATIONALE Imaging mass spectrometry can allow the correlation of molecular identification and spatial organization in biological samples. A useful technique would rapidly generate, from untreated samples, images of lipids, peptides and small proteins
Publikováno v:
Surface and Interface Analysis. 45:549-552
Autor:
Peter Williams, Klaus Franzreb
Publikováno v:
Surface and Interface Analysis. 43:129-133
We have investigated whether negative secondary ion yields from Cs + sputtered silicon might be improved by simultaneous O 2 gas flooding, which lowers the sputter yield of the silicon, and thus, might increase the cesium content at the surface. The
Publikováno v:
The Journal of Chemical Physics. 148:124306
A high level theoretical investigation of the low-lying electronic states of the diatomic dications SrO2+ and SrH2+ is presented for the first time along with experimental results of their mass spectra where they were detected. A global and reliable
Publikováno v:
Chemical Physics Letters
Chemical Physics Letters, Elsevier, 2010, 486 (1-3), pp.16--20. ⟨10.1016/j.cplett.2009.12.081⟩
Chemical Physics Letters, Elsevier, 2010, 486 (1-3), pp.16--20. ⟨10.1016/j.cplett.2009.12.081⟩
International audience; The gas-phase diatomic dication SiO(2+) has been observed by mass spectrometry and identified by its isotopic abundance. It was produced by energetic, high-current oxygen ((16)O ) ion beam sputtering of a silicon surface and s
Publikováno v:
Phys. Chem. Chem. Phys.. 9:846-852
We have searched for new species of small oxygen-containing gas-phase dianions produced in a secondary ion mass spectrometer by Cs+ ion bombardment of solid samples with simultaneous exposure of their surfaces to O2 gas. The targets were a pure zinc