scholarly journals Erratum: “Ab initio calculation of molecular energies including parity violating interactions” [J. Chem. Phys. 109, 7263 (1998)]

1999 ◽  
Vol 110 (12) ◽  
pp. 6081-6081 ◽  
Author(s):  
Ayaz Bakasov ◽  
Tae-Kyu Ha ◽  
Martin Quack
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Chem Phys

scholarly journals Correction: Ab initio calculation of energy levels of trivalent lanthanide ions

2018 ◽  
Vol 20 (24) ◽  
pp. 16876-16876
Author(s):  
Alexandra Ya. Freidzon ◽  
Ilia A. Kurbatov ◽  
Vitaliy I. Vovna
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Energy Levels ◽  
Chem Phys ◽  
Lanthanide Ions ◽  
Trivalent Lanthanide ◽  
Phys Chem Chem Phys

Correction for ‘Ab initio calculation of energy levels of trivalent lanthanide ions’ by Alexandra Ya. Freidzon et al., Phys. Chem. Chem. Phys., 2018, 20, 14564–14577.

scholarly journals Erratum: “Ab initio calculation of the cross sections for electron impact vibrational excitation of CO via the 2Π shape resonance” [J. Chem. Phys. 144, 104303 (2016)]

2016 ◽  
Vol 144 (23) ◽  
pp. 239901
Author(s):  
Michael F. Falcetta ◽  
Mark C. Fair ◽  
Emily M. Tharnish ◽  
Lorna M. Williams ◽  
Nathan J. Hayes ◽  
...  
Keyword(s):  
Ab Initio ◽  
Electron Impact ◽  
Cross Sections ◽  
Ab Initio Calculation ◽  
Vibrational Excitation ◽  
Chem Phys ◽  
Shape Resonance ◽  
The Cross

AB INITIO CALCULATION OF NH3 SPECTRUM

2016 ◽  
Author(s):  
Oleg Polyansky ◽  
Nikolay Zobov ◽  
Andrey Yachmenev ◽  
Sergei Yurchenko ◽  
Jonathan Tennyson ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation

Atomic and Electronic Structure of Boron-Doped Diamond Grain Boundaries Studied by Arhvtem and ab-Initio Calculation

2003 ◽  
Vol 764 ◽  
Author(s):  
Hiroyuki Togawa ◽  
Hideki Ichinose
Keyword(s):  
Ab Initio ◽  
Grain Boundaries ◽  
Ab Initio Calculation ◽  
Structure Model ◽  
Boron Doped Diamond ◽  
Boron Doped ◽  
Transmission Electron ◽  
Diamond Grain ◽  
Electron Energy Loss ◽  
Atomic And Electronic Structure

AbstractAtomic resolution high-voltage transmission electron microscopy and electron energy loss spectroscopy were performed on grain boundaries of boron-doped diamond, cooperated with the ab-initio calculation. Segregated boron in the {112}∑3 boundary was caught by the EELS spectra. The change in atomic structure of the segregated boundary was successfully observed from the image by ARHVTEM. Based on the ARHVTEM image, a segregted structure model was proposed.

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