Dynamical resonances of the deuterated CH2+ complex in the electronic ground state: A quantum wavepacket study

2018 ◽  
Vol 148 (16) ◽  
pp. 164306 ◽  
Author(s):  
P. Sundaram ◽  
R. Padmanaban
Keyword(s):  
Ground State ◽  
Electronic Ground State ◽  
Quantum Wavepacket ◽  
Electronic Ground

Dynamics and resonances of the H(2S) + CH+(X1Σ+) reaction in the electronic ground state: a detailed quantum wavepacket study

2017 ◽  
Vol 19 (30) ◽  
pp. 20172-20187 ◽  
Author(s):  
P. Sundaram ◽  
V. Manivannan ◽  
R. Padmanaban
Keyword(s):  
Wave Packet ◽  
Cross Sections ◽  
Ground State ◽  
Rate Constants ◽  
Electronic Ground State ◽  
Time Dependent ◽  
Initial State ◽  
Quantum Wavepacket ◽  
Thermal Rate Constants ◽  
Electronic Ground

Initial state-selected and energy resolved channel-specific reaction probabilities, integral cross sections and thermal rate constants of the H(2S) + CH+(X1Σ+) reaction are calculated within the coupled states approximation by a time-dependent wave packet propagation method. The resonances formed during the course of the reaction are also identified.

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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