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A minimal model of potential energy surface for H2OHCl.

• Authors : Caglioti, Concetta^1,2 (AUTHOR); Palazzetti, Federico¹ (AUTHOR)

• Source: Journal of the Chinese Chemical Society. Jun2023, Vol. 70 Issue 6, p1435-1444. 10p.

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应用量子化学和机器学习构建水分子势能面 --介绍一个综合计算化学实验.

• Authors : 周佳¹

• Source: University Chemistry. 2024, Vol. 39 Issue 3, p351-358. 8p.

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Structural and Electronic Properties of Novel Azothiophene Dyes: A Multilevel Study Incorporating Explicit Solvation Effects.

• Authors : Vautrin, Laura¹ (AUTHOR); Lambert, Alexandrine¹ (AUTHOR); Mahdhaoui, Faouzi¹ (AUTHOR)

Subjects: *POTENTIAL energy surfaces; *QUANTUM chemistry; *AZOBENZENE derivatives

• Source: Molecules. Sep2024, Vol. 29 Issue 17, p4053. 15p.

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Theoretical Study of the FrLi Molecule: Computation of Adiabatic and Diabatic Potential Energy Curves, Spectroscopic Constants, Dipole Moment, Radiative Lifetime and Spectrum Absorption.

• Authors : Jendoubi, Ibtissem^1,2 (AUTHOR)

• Source: Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ). Jan2022, Vol. 47 Issue 1, p971-988. 18p.

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Theoretical Study of Structure and Photophysics of Homologous Series of Bis(arylydene)cycloalkanones.

• Authors : Starostin, Roman O.^1,2 (AUTHOR) ; Freidzon, Alexandra Ya.^3,4 (AUTHOR) ; Gromov, Sergey P.^1,2 (AUTHOR)

Subjects: *FLUORESCENCE yield; *POTENTIAL energy surfaces; *HOMOLOGY (Biology)

• Source: International Journal of Molecular Sciences. Sep2023, Vol. 24 Issue 17, p13362. 12p.

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Potential energy surfaces for singlet and triplet states of the LiH2+ system and quasi-classical trajectory cross sections for H + LiH+ and H+ + LiH

• Authors : Hernández-Rodríguez, Javier; Sanz Sanz, Cristina; Enríquez, Pedro Alberto ...

Subjects: Molecular physics; potential energy; potential energy surfaces

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New global potential energy surface of the MgH2 system and dynamics studies of the reaction H + MgH → Mg + H2.

• Authors : Zhang, Yong¹; Wang, Jiemin²; Li, Wentao³

• Source: International Journal of Quantum Chemistry. Sep2018, Vol. 118 Issue 18, p1-1. 10p.

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Partial potential energy surfaces and their application to reaction resonances.

• Authors : Ang-Yang Yu¹

• Source: Progress in Reaction Kinetics & Mechanism. Sep2017, Vol. 42 Issue 3, p300-305. 6p.

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Neural network Gaussian processes as efficient models of potential energy surfaces for polyatomic molecules

• Authors : J Dai; R V Krems

Subjects: machine learning; potential energy surface; quantum chemistry

• Source: Machine Learning: Science and Technology, Vol 4, Iss 4, p 045027 (2023)

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Quantum extreme learning of molecular potential energy surfaces and force fields

• Authors : Gabriele Lo Monaco; Marco Bertini; Salvatore Lorenzo

Subjects: quantum extreme learning machine; quantum machine learning; quantum chemistry

• Source: Machine Learning: Science and Technology, Vol 5, Iss 3, p 035014 (2024)

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