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Improved Quantum-Classical Treatment of N
2
-N
2
Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571./通讯作者:Coletti, Cecilia
Authors:
Hong QZ(洪启臻)
;
Storchi, Loriano
;
Sun QH(孙泉华)
;
Bartolomei, Massimiliano
;
Pirani, Fernando
;
Coletti, Cecilia
Adobe PDF(5231Kb)
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Submit date:2024/01/22
Inelastic N-2+H-2 collisions and quantum-classical rate coefficients: large datasets and machine learning predictions
期刊论文
EUROPEAN PHYSICAL JOURNAL D, 2023, 卷号: 77, 期号: 7, 页码: 128./通讯作者:Coletti, C (corresponding author), Univ G dAnnunzio, Dipartimento Farm, Via Vestini, I-66100 Chieti, Italy.
Authors:
Hong QZ(洪启臻)
;
Storchi, Loriano
;
Bartolomei, Massimiliano
;
Pirani, Fernando
;
Sun QH(孙泉华)
;
Coletti, Cecilia
Adobe PDF(3024Kb)
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Submit date:2023/09/05
Vibrational deactivation in O(P-3) + N-2 collisions: from an old problem towards its solution
期刊论文
PLASMA SOURCES SCIENCE & TECHNOLOGY, 2022, 卷号: 31, 期号: 8, 页码: 16./通讯作者:Coletti, Cecilia
Authors:
Hong QZ(洪启臻)
;
Bartolomei, Massimiliano
;
Pirani, Fernando
;
Esposito, Fabrizio
;
Sun QH(孙泉华)
;
Coletti, Cecilia
Adobe PDF(2972Kb)
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Submit date:2022/09/16
vibrational relaxation
non-adiabatic transitions
N-2 + O collisions
V-T rate coefficients
V-E rate coefficients
Vibrational Energy Transfer in CO+N-2 Collisions: A Database for V-V and V-T/R Quantum-Classical Rate Coefficients
期刊论文
MOLECULES, 2021, 卷号: 26, 期号: 23, 页码: 27
Authors:
Hong QZ(洪启臻)
;
Bartolomei, Massimiliano
;
Coletti, Cecilia
;
Lombardi, Andrea
;
Sun QH(孙泉华)
;
Pirani, Fernando
Adobe PDF(735Kb)
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Submit date:2022/03/05
vibrational energy transfer
inelastic scattering
potential energy surface
rate coefficients database
quantum-classical nuclear dynamics
quasi-classical trajectories
Reconciling experimental and theoretical vibrational deactivation in low-energy O + N-2 collisions
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 卷号: 23, 期号: 29, 页码: 5
Authors:
Hong QZ(洪启臻)
;
Bartolomei, Massimiliano
;
Esposito, Fabrizio
;
Coletti, Cecilia
;
Sun QH(孙泉华)
;
Pirani, Fernando
Adobe PDF(3296Kb)
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View/Download:581/112
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Submit date:2021/08/03
vibronic transition