A four-component Fock-space coupled cluster investigation of the HM(CO)5, (M = Mn, Re) photoelectron spectra
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268976.2015.1031839
Reference19 articles.
1. COUPLED-CLUSTER THEORY: AN OVERVIEW OF RECENT DEVELOPMENTS
2. Coupled-cluster theory in quantum chemistry
3. Vibrational fine structure in the valence ionizations of transition metal hexacarbonyls: new experimental indication of metal-to-carbonyl .pi. bonding
4. Use of spin-orbit coupling in the interpretation of photoelectron spectra. I. Application to substituted rhenium pentacarbonyls
5. Electronic Spectra of M(CO)6 (M = Cr, Mo, W) Revisited by a Relativistic TDDFT Approach
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1. Carbonyl compounds of Tc, Re, and Bh: Electronic structure, bonding, and volatility;The Journal of Chemical Physics;2018-11-28
2. Equation-of-motion coupled-cluster theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states;The Journal of Chemical Physics;2018-11-07
3. An ab initio quantum dynamical analysis of the vibronic structure of the X2Bg photoelectron spectral band of s-trans-1,3-butadiene;Chemical Physics;2018-11
4. A four-component Fock-space coupled cluster investigation of the XMn(CO)5, (X = Cl, Br and I) photoelectron spectra;Chemical Physics;2017-01
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