Results 291 to 300 of about 2,313,045 (347)
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Intramolecular screening of intermolecular forces
The Journal of Chemical Physics, 1993By use of nonlocal polarizability densities, we analyze the intramolecular screening of intermolecular fields. For two interacting molecules A and B with weak or negligible charge overlap, we show that the reaction field and the field due to the unperturbed charge distribution of the neighboring molecule are screened identically via the Sternheimer ...
Y. Q. Liang, K. L. C. Hunt
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Intramolecular force-compensated hydrogel-based sensors with reduced response times
TM. Technisches Messen, 2019The method of intramolecular force compensation forms a new approach for reducing the response time of hydrogel-based chemical sensors and improving their long-term stability.
Simon Binder, G. Gerlach
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Physical Chemistry, Chemical Physics - PCCP, 2013
The Joyce program is augmented with several new features, including the user friendly Ulysses GUI, the possibility of complete excited state parameterization and a more flexible treatment of the force field electrostatic terms.
V. Barone +5 more
semanticscholar +1 more source
The Joyce program is augmented with several new features, including the user friendly Ulysses GUI, the possibility of complete excited state parameterization and a more flexible treatment of the force field electrostatic terms.
V. Barone +5 more
semanticscholar +1 more source
Quantization of Molecules, Inter- and Intramolecular Forces
Physical Review, 1943In diatomic molecules (e.g., ${\mathrm{P}}_{2}$) the distinction is made between the quantization of the electrons of the atomic cores (${\mathrm{P}}^{5+}$), which is assumed to be the same (${1}^{2}$${2}^{8}$) as in the free atom (P), and of the valence electrons ${3}^{2,2}$(${\mathrm{P}}^{5+}$)${\mathrm{II}}^{2}$(${\mathrm{P}}^{5+}$)${3}^{2,2}$.
Theodore Berlin, Kasimir Fajans
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Journal of Computational Chemistry, 2013 Nano letters (Print), 2022
Designing intelligent molecules and smart nanomaterials as molecular machines is becoming increasingly important in the nanoscience fields. Herein, we report a nanodot actuator with changeable fluorescence by π-π stacking force based on a four-armed ...
Liu Hu +5 more
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Designing intelligent molecules and smart nanomaterials as molecular machines is becoming increasingly important in the nanoscience fields. Herein, we report a nanodot actuator with changeable fluorescence by π-π stacking force based on a four-armed ...
Liu Hu +5 more
semanticscholar +1 more source
Rotational spectrum, structure, and intramolecular force field of the ArClCN van der Waals complex
, 1981The rotational spectrum of the ArClCN van der Waals complex has been assigned using pulsed Fourier transform microwave spectroscopy in a Fabry‐Perot cavity with a pulsed supersonic nozzle as the molecular source.
M. Keenan, D. Woźniak, W. Flygare
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Intramolecular forces in the water molecule in lithium sulfate monohydrate
The Journal of Chemical Physics, 1975A study of the low−temperature infrared spectra of varyingly deuterated mulls of lithium sulfate monohydrate has afforded information on the origin of bands due to the vibrations of the water molecule in the solid. Assignments are made for the intermolecularly uncoupled modes which produce these bands in the spectrum and intramolecular coupling force ...
Jerome Schiffer, H. Preston Hayward
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Intramolecular-force-constant model for C60.
Physical Review B (Condensed Matter), 1992A least-squares fit of a short-range-force-constant model to the 14 Raman and infrared active normalmode frequencies of C 60 has been obtained. The fit is better than 3.8% (in frequency) for any of these modes.
J. Feldman +4 more
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Enhanced Small-Molecule Assembly through Directional Intramolecular Forces
Organic Letters, 2005[reaction: see text] Directional intramolecular interactions play a critical role in the self-assembly of donor-sigma-acceptor molecules in solution. Amide functions on the periphery of the tricyclic core stabilize a C3-symmetric monomer conformation by intramolecular hydrogen bonding and dipole-dipole interactions.
Andrew J. Lampkins +3 more
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