ChemInform Abstract: HIGH-ENERGY MOLECULES, VI. MINDO 3 CALCULATIONS ON THE THERMOLYSIS OF 1,2-DIOXETANES. EVIDENCE FOR A CARBON-CARBON BIRADICAL AS TRANSITION STATE OF THE FRAGMENTATION TO PRODUCTS IN THE ELECTRONIC GROUND STATE

1978 ◽  
Vol 9 (26) ◽  
Author(s):  
P. LECHTKEN
Keyword(s):  
Transition State ◽  
Ground State ◽  
High Energy ◽  
Electronic Ground State ◽  
Electronic Ground

New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range

2013 ◽  
Vol 139 (13) ◽  
pp. 134307 ◽  
Author(s):  
Vladimir G. Tyuterev ◽  
Roman V. Kochanov ◽  
Sergey A. Tashkun ◽  
Filip Holka ◽  
Péter G. Szalay
Keyword(s):  
Energy Range ◽  
Ab Initio ◽  
Analytical Model ◽  
Ground State ◽  
Potential Surface ◽  
High Energy ◽  
Electronic Ground State ◽  
State Potential ◽  
Electronic Ground

The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them

2005 ◽  
Vol 122 (9) ◽  
pp. 094304 ◽  
Author(s):  
Justin M. Turney ◽  
Levent Sari ◽  
Yukio Yamaguchi ◽  
Henry F. Schaefer
Keyword(s):  
Transition State ◽  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground

ChemInform Abstract: TRIPLET ELECTRONIC GROUND STATE OF TRIMETHYLENEMETHANE

1974 ◽  
Vol 5 (33) ◽  
pp. no-no
Author(s):  
DAVID R. YARKONY ◽  
HENRY F. III SCHAEFER
Keyword(s):  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground

Consistent characterization of the electronic ground state of Iron (II) Phthalocyanine from valence and core-shell electron spectroscopy

2021 ◽  
Author(s):  
Jonathan Laurent ◽  
John Bozek ◽  
Marc BRIANT ◽  
Pierre Carcabal ◽  
Denis Cubaynes ◽  
...  
Keyword(s):  
Gas Phase ◽  
Ground State ◽  
Electron Spectroscopy ◽  
Organometallic Compound ◽  
Electronic Ground State ◽  
Core Shell ◽  
Shell Electron ◽  
Phthalocyanine Molecule ◽  
Electronic Ground

We studied the Iron (II) Phthalocyanine molecule in the gas-phase. It is a complex transition organometallic compound, for which, the characterization of its electronic ground state is still debated more...

RKR Potentials of 14N16O and 16OH Molecules in the Electronic Ground State

2020 ◽  
Vol 128 (12) ◽  
pp. 1921-1926
Author(s):  
Yu. G. Borkov ◽  
O. N. Sulakshina ◽  
S. V. Kozlov ◽  
T. I. Velichko
Keyword(s):  
Ground State ◽  
Electronic Ground State ◽  
Electronic Ground
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