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Intramolecular force field for carboxylate Pt(II)-complexes

Theoretical Chemistry Accounts, 2022
Diego F. S. Paschoal   +1 more
openaire   +2 more sources

Intramolecular force-compensated hydrogel-based sensors with reduced response times

TM. Technisches Messen, 2019
The 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
semanticscholar   +1 more source

Intramolecular screening of intermolecular forces

The Journal of Chemical Physics, 1993
By 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 ...
Ying Q. Liang, K. L. C. Hunt
openaire   +1 more source

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
openaire   +2 more sources

Force-field model for intramolecular radical additions

The Journal of Organic Chemistry, 1987
Ce modele permet de prevoir de facon precise la regioselectivite et la stereoselectivite des reactions de cyclisation des radicaux ...
D. C. Spellmeyer, K. N. Houk
openaire   +1 more source

Structural Dynamics of Amyloid-β Protofibrils and Actions of Anti-Amyloid-β Antibodies as Observed by High-Speed Atomic Force Microscopy.

Nano letters (Print), 2023
Amyloid-β (Aβ) aggregation intermediates, including oligomers and protofibrils (PFs), have attracted attention as neurotoxic aggregates in Alzheimer's disease.
T. Watanabe-Nakayama   +9 more
semanticscholar   +1 more source

Quantization of Molecules, Inter- and Intramolecular Forces

Physical Review, 1943
In 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 ${3}^{2,2}$(${\mathrm{P}}^{5+}$)${\mathrm{II}}^{2}$(${\mathrm{P}}^{5+}$)${3}^{2,2}$.
Kasimir Fajans, Theodore Berlin
openaire   +1 more source

Self-Assembled Nanodot Actuator with Changeable Fluorescence by π-π Stacking Force Based on a Four-Armed Foldable Phthalocyanine Molecule and Its Supersensitive Molecular Recognition.

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
semanticscholar   +1 more source

Intramolecular forces in the water molecule in lithium sulfate monohydrate

The Journal of Chemical Physics, 1975
A 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 ...
H. Preston Hayward, Jerome Schiffer
openaire   +1 more source

Vibrational frequencies and intramolecular force constants for cisplatin: assessing the role of the platinum basis set and relativistic effects

Journal of Molecular Modeling, 2021
Caroline A. de Almeida   +3 more
semanticscholar   +1 more source

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