Journal ArticleDOI
The photoelectron spectrum of HCP and comments on the first photoelectron band of HCN
TLDR
In this paper, the photoelectron spectrum of HCP has been obtained, ionization potentials are found at 10.79 ± 0.01 eV (X 2 Π) and 12.86 ± ε (A 2 Σ).About:
This article is published in Chemical Physics Letters.The article was published on 1973-12-15. It has received 86 citations till now. The article focuses on the topics: Photoemission spectroscopy & Ionization.read more
Citations
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Multimode molecular dynamics beyond the Born-Oppenheimer approximation
TL;DR: Theorie des effets de couplage vibronique multimodes is described in this paper, where couplages mettant en jeu des modes and des etats degeneres.
Journal ArticleDOI
Phosphaalkine – Synthesen, Reaktionen, Koordinationsverhalten
Manfred Regitz,Paul Binger +1 more
TL;DR: In this paper, the authors show how PCR-Einheit in Heterocyclen, in Phosphaarene and deren Valenzisomere, in polycyclische Verbindungen, die Verwendung als neue Ligandensysteme in der Komplexchemie and schlieslich die Cyclooligomerisierung with Organometallreagentien belegen dies auf eindrucksvolle Weise.
Journal ArticleDOI
Strong vibronic coupling effects in ionization spectra: The ``mystery band'' of butatriene
TL;DR: In this article, a theory of vibronic coupling in molecules is presented and applied to butatriene, and the energies and coupling constants which enter the calculation are computed using ab initio Hartree-Fock and many-body methods.
Journal ArticleDOI
Vibronic coupling effects in the photoelectron spectrum of ethylene
TL;DR: In this article, the vibrational structure of the first band in the photoelectron spectrum of ethylene is calculated taking into account the vibronic coupling between the ground state and first excited state of the ion.
References
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Journal ArticleDOI
Molecular SCF Calculations on CH4, C2H2, C2H4, C2H6, BH3, B2H6, NH3, and HCN
Journal ArticleDOI
A spectroscopic study of HCP, the phosphorus analogue of hydrocyanic acid
TL;DR: The ultraviolet absorption spectrum of HCP has been observed from 4100 to about 2350 A, and seven electronic transitions have been identified as mentioned in this paper, three of these transitions involve excited singlet s...
Journal ArticleDOI
Photoionization cross sections in the valence electron approximation. Relative intensities in the HeI photoelectron spectra of linear molecules
Walter Thiel,Armin Schweig +1 more
TL;DR: Theoretical and experimental values for the relative band intensities in the Hel-photoelectron spectra of eighteen linear molecules are compared in this article, where qualitative rules concerning band intensity are discussed.
Journal ArticleDOI
Electron Distributions in Small Molecules
E. Clementi,H. Clementi +1 more
TL;DR: In this paper, the atomic gross charge and overlap populations are computed for the C3, C4, and C2N2 molecules and compared with those of related molecules in terms of s, p, and σ, π • atomic populations.