Results 191 to 200 of about 708,136 (308)
On the Harmonic Oscillator Regularization of Partition Functions
, 1992 Kåre Olaussen
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Representation of the five-dimensional harmonic oscillator with scalar-valued U(5) ⊇ SO(5) ⊇ SO(3)–coupled VCS wave functions [PDF]
, 1995 D.J. Rowe, K. T. Hecht
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Journal of Computational Chemistry, Volume 46, Issue 21, 05 August 2025.Quantifying effects of judiciously chosen physics‐ and ML‐based replacements to a generic empirical force field. ABSTRACT The effects of replacing individual contributions to an empirical energy function are assessed for halogenated benzenes (X‐Bz, X = H, F, Cl, Br) and chlorinated phenols (Cl‐PhOH).
Kham Lek Chaton, Markus Meuwly
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Various loss factors of a master harmonic oscillator coupled to a number of satellite harmonic oscillators [PDF]
, 1998 G. Maidanik, K. J. Becker
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Journal of Computational Chemistry, Volume 46, Issue 21, 05 August 2025.Fast, geometry‐only descriptors—ΣDihedral, HOMA, and θRMSD—predict isomerization energies for peri‐condensed PAHs. The PAH Automated Property Scanner instantly converts an uploaded xyz file into a ΔE estimate, enabling large‐scale screening and design. ABSTRACT Accurate, efficient stability predictors are essential for understanding isomer formation in
Kasimir P. Gregory, Amir Karton
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A (1+3) Relativistic Harmonic Oscillator Simulated by an Anti-de Sitter Background
, 1994 D. J. Navarro, José Navarro-Salas
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ChemPhysChem, Volume 26, Issue 15, August 4, 2025.Range‐separated functionals, such as ωB97M‐D4, are shown to perform very well for reactions in acidic zeolites. Importantly, they work well with plane‐wave density functional theory and can thus be directly applied to periodic models at modest computational cost.
Philipp Huber, Philipp N. Plessow
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Damped quantum harmonic oscillator: density operator and related quantities
, 1994 Аурелиан Исар
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Advanced Functional Materials, Volume 35, Issue 35, August 28, 2025.Symmetry‐broken plasmonic nanoantenna arrays achieve broadband multiresonant enhancement of second harmonic generation (SHG), third harmonic generation (THG), and upconversion photoluminescence (UCPL), under femtosecond laser excitation across the near‐infrared range (1000–1600 nm).
Elieser Mejia +9 more
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