✦ LIBER ✦

The electronic spectrum of silicon difluorid. A theoretical study

✍ Scribed by Bernd Wirsam

Publisher: Elsevier Science
Year: 1973
Tongue: English
Weight: 323 KB
Volume: 22
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(73)80112-5

No coin nor oath required. For personal study only.

✦ Synopsis

Ab initio SCF and Cl calculations f@ the potential curves of the lower lying electronic states of the radical SiFz are carried out in order to obtain a theoretical description of the electronic spectrum of this system.

📜 SIMILAR VOLUMES

The photoelectron spectrum of silicon di

The photoelectron spectrum of silicon difluoride

✍ N.P.C. Westwood 📂 Article 📅 1974 🏛 Elsevier Science 🌐 English ⚖ 397 KB

The &I pbotoelectroR spectrum of the divafent silicon compound SiF\* has been observed, and compared with the results of an INDO caicuiation, The assignments are correfstcd with those of a related series of moleroles.

The infrared spectrum of silicon difluor

The infrared spectrum of silicon difluoride

✍ G.L. Caldow; C.M. Deeley; P.H. Turner; I.M. Mills 📂 Article 📅 1981 🏛 Elsevier Science 🌐 English ⚖ 411 KB

The infrared spectrum of the stretchmg fundamentals of SiF2 has been obtained at a resolution of 20.1 cm-\* using a FTIR spectrometer. The spectrum has been analysed usm g computer simulation based on a coupled hamlltonian for VI and vs. giking vr = 855.01 cm-l and "3 = 870.40 cm-t. The relative ma

The Electronic Spectrum of Re2Cl82-: A T

The Electronic Spectrum of Re2Cl82-: A Theoretical Study.

✍ Laura Gagliardi; Bjoern O. Roos 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 51 KB 👁 2 views

A theoretical study of the electronic sp

A theoretical study of the electronic spectrum of thiophene

✍ Luis Serrano-Andrés; Manuela Merchán; Markus Fülscher; Björn O. Roos 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 926 KB

The electronic spectrum of thiophene has been studied using multiconfiguration second-order perturbation theory and extended AN0 basis sets. The calculations comprise four singlet valence excited states and the 3s3p3d Rydberg series. The lowest triplet states were included and some n-n\* and n-ti st

A theoretical study of the electronic sp

A theoretical study of the electronic spectrum of biphenyl

✍ Mercedes Rubio; Manuela Merchán; Enrique Ortí; Björn O. Roos 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 753 KB

The electronic spectrum of biphenyl in the energy range up to 6.0 eV has been studied using multiconfigurational secondorder perturbation theory (CASPT2) and a basis set of ANO type, including polarization functions on all carbon atoms. The calculated spectrum gives conclusive assignments to all val

A theoretical study of the electronic sp

A theoretical study of the electronic spectrum of terthiophene

✍ Mercedes Rubio; Manuela Merchán; Enrique Ortí; Björn O. Roos 📂 Article 📅 1996 🏛 Elsevier Science 🌐 English ⚖ 652 KB

The electronic spectrum of planar 2,2':5',2"-terthiophene has been studied using multiconfigurational second-order perturbation theory. Four valence states are located below the first dipole-allowed Rydberg state. The computed excitation energies (11B2:2.86 eV; 21A]: 3.71 eV; 21B2:4.44 eV; 31A~: 4.9