Supplementary Material for on-line publication

The supplementary material contains definitions of triplet molecular spin functions, Zeeman Hamiltonian, plots of energy gaps between adiabatic states, first derivatives of adiabatic energies, adiabatic energies of Ni(dpp)Cl2 model in the weak and strong field regimes, magnetic field effect as a function of internal energy for Ni(dpp)Cl2 calculated with giso =2.1121546, transition probabilities for Ni(dpp)Cl2 in the strong field regime, total rate constant of the Ni(dpp)Cl2 isomerization as functions of internal energy, Fortran code, and the input files for NAST calculations.

Publication Details

Journal
AIP Publishing
Published
2024-10-23
DOI
https://doi.org/10.60893/figshare.jcp.27169857
Primary Topic
Horticultural and Viticultural Research
Type
article
Field-Weighted Citation Impact
0.00
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article

Supplementary Material for on-line publication

AIP Publishing
Horticultural and Viticultural Research
article

Supplementary Material for on-line publication

article en

Abstract

The supplementary material contains definitions of triplet molecular spin functions, Zeeman Hamiltonian, plots of energy gaps between adiabatic states, first derivatives of adiabatic energies, adiabatic energies of Ni(dpp)Cl2 model in the weak and strong field regimes, magnetic field effect as a function of internal energy for Ni(dpp)Cl2 calculated with giso =2.1121546, transition probabilities for Ni(dpp)Cl2 in the strong field regime, total rate constant of the Ni(dpp)Cl2 isomerization as functions of internal energy, Fortran code, and the input files for NAST calculations.

AIP Publishing
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Horticultural and Viticultural Research
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Supplementary Material for on-line publication · AIP Publishing (2024) | TGRS Research Map | TGRS