𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Finite-Temperature Electronic Absorption Spectrum of Formamide

✍ Scribed by Besley, Nicholas A.; Doltsinis, Nikos L.

Book ID
127131934
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
68 KB
Volume
2
Category
Article
ISSN
1549-9618

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Ab Initio Study of the Electronic Spectr
Ab Initio Study of the Electronic Spectrum of B2H2
✍ Miljenko PeriΔ‡; Bojana OstojiΔ‡; Bernd Engels πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 400 KB

The present paper represents the first part of an extensive theoretical study on the electronic spectrum of B 2 H 2 . The results of ab initio calculations of the vertical spectrum and the trans-and cis-bending potential curves for the lowlying triplet and singlet electronic states are reported. Spe

Ab Initio Study of the Electronic Spectr
Ab Initio Study of the Electronic Spectrum of B2H2
✍ Miljenko PeriΔ‡; Bojana OstojiΔ‡; Bernd Engels πŸ“‚ Article πŸ“… 1997 πŸ› Elsevier Science 🌐 English βš– 323 KB

The results of ab initio calculations of the potential curves for the torsional motion, symmetric H-B stretching, and B-B stretching in low-lying valence-and Rydberg-character triplet and singlet electronic states of B 2 H 2 are reported. Particularly, the dissociation process B 2 H 2 r BH / BH out

Ab initio study of the electronic spectr
Ab initio study of the electronic spectrum of dichlorocarbene CCl2
✍ Z.-L. Cai; X.-G. Zhang; X.-Y. Wang πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 627 KB

The equilibrium geometries, excitation energies, force constants and vibrational frequencies for seven low-lying electronic states X 'A,, 'B,, %,, 'AZ, 'A,, 'B, and 3B, of dichlorocarbene Ccl, have been calculated at the MRSDCI level with a double-zeta plus polarization basis set. Our calculated equ