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Rotational Modulation of $Ã^2A''$-State Photodissociation of HCO via Renner–Teller Nonadiabatic Transitions
Rotational Modulation of $Ã^2A''$-State Photodissociation of HCO via Renner–Teller Nonadiabatic Transitions
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Rotational Modulation of $Ã^2A''$-State Photodissociation of HCO via Renner–Teller Nonadiabatic Transitions

Han, Shanyu ; Sun, Ge ; Zheng, Xianfeng ; Song, Yu ; Dawes, Richard ; Xie, Daiqian ; Zhang, Jingsong ; Guo, Hua

The journal of physical chemistry letters, 2021-07, Vol.12 (28) [Periódico revisado por pares]

United States: American Chemical Society

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Nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A(3s) Rydberg state: A four-dimensional quantum study
Nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A(3s) Rydberg state: A four-dimensional quantum study
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Nonadiabatic photodissociation dynamics of the hydroxymethyl radical via the 22A(3s) Rydberg state: A four-dimensional quantum study

Xie Changjian ; Malbon, Christopher ; Yarkony, David R ; Guo, Hua

The Journal of chemical physics, 2017-06, Vol.146 (22), p.224306-224306 [Periódico revisado por pares]

Melville: American Institute of Physics

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3
Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations
Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations
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Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations

Yu, Hua-Gen ; Ndengue, Steve ; Li, Jun ; Dawes, Richard ; Guo, Hua

The Journal of chemical physics, 2015-08, Vol.143 (8), p.084311-084311 [Periódico revisado por pares]

United States: American Institute of Physics

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4
Statistical quantum mechanical approach to diatom–diatom capture dynamics and application to ultracold KRb + KRb reaction
Statistical quantum mechanical approach to diatom–diatom capture dynamics and application to ultracold KRb + KRb reaction
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Statistical quantum mechanical approach to diatom–diatom capture dynamics and application to ultracold KRb + KRb reaction

Yang, Dongzheng ; Huang, Jing ; Hu, Xixi ; Xie, Daiqian ; Guo, Hua

The Journal of chemical physics, 2020-06, Vol.152 (24), p.241103-241103 [Periódico revisado por pares]

Melville: American Institute of Physics

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5
ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality
ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality
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ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality

Yang, Dongzheng ; Chai, Shijie ; Xie, Daiqian ; Guo, Hua

The Journal of chemical physics, 2023-02, Vol.158 (5), p.054801-054801 [Periódico revisado por pares]

United States: American Institute of Physics

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6
Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering
Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering
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Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering

Zuo, Junxiang ; Guo, Hua

The Journal of chemical physics, 2020-10, Vol.153 (14), p.144306-144306 [Periódico revisado por pares]

Melville: American Institute of Physics

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7
High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics
High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics
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High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics

Guan, Yafu ; Xie, Changjian ; Yarkony, David R ; Guo, Hua

Physical chemistry chemical physics : PCCP, 2021-11, Vol.23 (44), p.24962-24983 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics
High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics
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High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics

Guan, Yafu ; Xie, Changjian ; Yarkony, David R. ; Guo, Hua

Physical chemistry chemical physics : PCCP, 2021-08, Vol.23 (44) [Periódico revisado por pares]

United States: Royal Society of Chemistry

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9
Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties
Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties
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Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties

Chen, Qixin ; Hu, Xixi ; Guo, Hua ; Xie, Daiqian

Physical chemistry chemical physics : PCCP, 2020-12, Vol.23 (5) [Periódico revisado por pares]

United States: Royal Society of Chemistry

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10
Full-dimensional quantum studies of vibrational energy transfer dynamics between H2O and Ar: theory assessing experiment
Full-dimensional quantum studies of vibrational energy transfer dynamics between H2O and Ar: theory assessing experiment
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Full-dimensional quantum studies of vibrational energy transfer dynamics between H2O and Ar: theory assessing experiment

Yang, Dongzheng ; Liu, Lu ; Xie, Daiqian ; Guo, Hua

Physical chemistry chemical physics : PCCP, 2022-05, Vol.24 (22), p.13542-13549 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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