Quantifying Molecular Properties of Hexagonal Water Clusters
ChemistryOpen, EarlyView.Standard quantum chemical calculations on large hexagonal water clusters allow us to analyze the fundamental properties of ice‐Ih. Computed geometrical structure, energies, and vibrational spectra are astonishingly close to experimental data without the introduction of any external empirical parameters.
Giuseppe Lanza
wiley +1 more source
General properties of optical harmonic generation from a simple oscillator model [PDF]
, 1998 F. Bassani, Valerio Lucarini
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Introduction of 9‐Bromo‐9‐Borafluorene Scaffold Into Deep Blue Emitting π‐Conjugated Polymers
Journal of Polymer Science, EarlyView.Introduction of 9‐Bromo‐9‐Borafluorene in deep blue emitting π‐conjugated polymers for high quantum yield and enhanced fluorescence. ABSTRACT We report the first successful incorporation of 9‐bromo‐9‐borafluorene into a π‐conjugated co‐polymer consisting of 9,9‐silafluorene and 9,9‐dioctylfluorene units through a SiB exchange reaction.
Jacopo Teotonico +7 more
wiley +1 more source
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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Molecular Basis for Vacuolar Iron Transport by OsVIT2, a Target for Iron Biofortification in Rice
Proteins: Structure, Function, and Bioinformatics, EarlyView.ABSTRACT Iron deficiency is the prevalent and most widespread nutritional shortfall for humans, affecting over 30% of the global population and leading to anemia, particularly among preschool‐aged children and pregnant women in developing countries. Simultaneously, while half of the world's population depends on rice (Oryza sativa L.) as a staple food,
L. B. Arend +4 more
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On the Harmonic Oscillator Regularization of Partition Functions
, 1992 Kåre Olaussen
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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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Initial Stages of Palladium Growth on Vicinal Si(001)‐(2×1) Surfaces
physica status solidi (b), EarlyView.The early growth stages of palladium (Pd) on Si(001) are studied in situ by reflectance anisotropy spectroscopy and Raman spectroscopy in ultrahigh vacuum. A silicide‐like reacted phase at the Si–Pd interface is identified with Raman. Several additional phonon modes appear and are in very good agreement with vibrational modes obtained from density ...
Sandhya Chandola +5 more
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Electronic shell structure of large metallic clusters in the modified harmonic oscillator [PDF]
, 1998 W. D. Heiss, R. G. Nazmitdinov
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Coherent Phonons in Epitaxial Thin Films of Phase‐Change Material GeTe
physica status solidi (RRL) – Rapid Research Letters, EarlyView.The present study investigates the dynamics of coherent phonons in thin GeTe films using a femtosecond reflection‐type two‐color pump‐probe experiment. The study delves into the impact of film thickness, excitation fluence, and polarization on Raman‐active modes, emphasizing the enhanced control over phonon behavior at nanoscale dimensions.
Felix Hoff +3 more
wiley +1 more source