Photodissociation and Electronic Spectroscopy of [Re(H)(CO)3(H-dab)] (H-dab=1,4-diaza-1,3-butadiene): Quantum Wavepacket Dynamics Based on Ab Initio Potentials

2002 ◽  
Vol 8 (6) ◽  
pp. 1361-1371 ◽  
Author(s):  
Isabelle Bruand-Cote ◽  
Chantal Daniel
Keyword(s):  
Ab Initio ◽  
Electronic Spectroscopy ◽  
Quantum Wavepacket ◽  
Ab Initio Potentials ◽  
Wavepacket Dynamics

Factors Affecting the Branching Ratio of Photodissociation: Thiophenol Studied through Quantum Wavepacket Dynamics

ChemPhysChem ◽  
2015 ◽  
Vol 16 (7) ◽  
pp. 1529-1534 ◽  
Author(s):  
Heesun An ◽  
Heechol Choi ◽  
Yoon Sup Lee ◽  
Kyoung Koo Baeck
Keyword(s):  
Branching Ratio ◽  
Factors Affecting ◽  
Quantum Wavepacket ◽  
Wavepacket Dynamics

scholarly journals Simulation of ultrafast excited-state dynamics and elastic x-ray scattering by quantum wavepacket dynamics

2019 ◽  
Vol 151 (10) ◽  
pp. 104307 ◽  
Author(s):  
Mátyás Pápai ◽  
Tamás Rozgonyi ◽  
Thomas J. Penfold ◽  
Martin M. Nielsen ◽  
Klaus B. Møller
Keyword(s):  
Excited State ◽  
X Ray ◽  
Excited State Dynamics ◽  
X Ray Scattering ◽  
Quantum Wavepacket ◽  
Wavepacket Dynamics ◽  
Ray Scattering

Coupled‐channel scattering calculations of ICN(ÖX̃) photodissociation using ab initio potentials

1994 ◽  
Vol 101 (11) ◽  
pp. 9469-9479 ◽  
Author(s):  
Joel M. Bowman ◽  
Rudolph C. Mayrhofer ◽  
Yoshiaki Amatatsu
Keyword(s):  
Ab Initio ◽  
Ab Initio Potentials ◽  
Coupled Channel

Transport coefficients of isotopic mixtures of noble gases based on ab initio potentials

2021 ◽  
Author(s):  
Felix Sharipov ◽  
Victor Juan Benites
Keyword(s):  
Thermal Conductivity ◽  
Ab Initio ◽  
Thermal Diffusion ◽  
Noble Gases ◽  
Transport Coefficients ◽  
Isotopic Compositions ◽  
Ab Initio Potentials

The transport coefficients such as viscosity, thermal conductivity, diffusion and thermal diffusion of neon, argon, krypton, and xenon taking into consideration their real isotopic compositions are computed for a wide...

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