scholarly journals He79Br2 B,v=8←X,v″=0 excitation spectrum: Ab initio prediction and spectroscopic manifestation of a linear isomer

2002 ◽  
Vol 117 (13) ◽  
pp. 6117-6120 ◽  
Author(s):  
Alexei A. Buchachenko ◽  
Rita Prosmiti ◽  
Carlos Cunha ◽  
Gerardo Delgado-Barrio ◽  
Pablo Villarreal
Keyword(s):  
Ab Initio ◽  
Excitation Spectrum ◽  
Linear Isomer ◽  
Spectroscopic Manifestation ◽  
Ab Initio Prediction

scholarly journals Theoretical simulations of the He79Br2 B, v=8←X, v″=0 excitation spectrum: Spectroscopic manifestation of a linear isomer?

2000 ◽  
Vol 113 (11) ◽  
pp. 4620-4628 ◽  
Author(s):  
Marta I. Hernández ◽  
Tomás González-Lezana ◽  
Gerardo Delgado-Barrio ◽  
Pablo Villarreal ◽  
Alexei A. Buchachenko
Keyword(s):  
Excitation Spectrum ◽  
Linear Isomer ◽  
Spectroscopic Manifestation ◽  
Theoretical Simulations

scholarly journals Ab Initio Prediction of the Redox Potentials of 3d Transition Metals Embedded in a Semiconducting Host Lattice

2021 ◽  
Vol 125 (7) ◽  
pp. 4267-4276
Author(s):  
William Lafargue-Dit-Hauret ◽  
Camille Latouche ◽  
Stéphane Jobic
Keyword(s):  
Transition Metals ◽  
Ab Initio ◽  
Host Lattice ◽  
Redox Potentials ◽  
Ab Initio Prediction

An ab Initio Calculation of the Valence Excitation Spectrum of H2O···Cl2: Comparison to Condensed Phase Spectra†

2009 ◽  
Vol 113 (26) ◽  
pp. 7563-7569 ◽  
Author(s):  
Ricardo Franklin-Mergarejo ◽  
Jesus Rubayo-Soneira ◽  
Nadine Halberstadt ◽  
Tahra Ayed ◽  
Margarita I. Bernal Uruchurtu ◽  
...  
Keyword(s):  
Ab Initio ◽  
Excitation Spectrum ◽  
Condensed Phase ◽  
Ab Initio Calculation ◽  
Phase Spectra

scholarly journals Ab-initio Prediction of Magnetoelectricity in Infinite-Layer CaFeO2and MgFeO2

2014 ◽  
Vol 83 (9) ◽  
pp. 094712 ◽  
Author(s):  
Kunihiko Yamauchi ◽  
Tamio Oguchi ◽  
Silvia Picozzi
Keyword(s):  
Ab Initio ◽  
Infinite Layer ◽  
Ab Initio Prediction
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