Results 151 to 160 of about 92,868 (198)
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Q-model of electrode reactions: altering force constants of intramolecular vibrations
Physical Chemistry Chemical Physics, 2018Vibrational force constants of molecules can be altered in electrode reactions. A theory is formulated accounting for such effects in terms of non-parabolic free energy surfaces.
Dmitry V. Matyushov, Marshall D. Newton
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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 ...
H. Preston Hayward, Jerome Schiffer
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Intramolecular force-compensated hydrogel-based sensors with reduced response times
tm - Technisches Messen, 2019Abstract 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. The principle is based on a single bisensitive hydrogel, that fulfills both the function of a sensor and an actuator.
Simon Binder, Gerald Gerlach
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Calculation of intramolecular force fields from second‐derivative tensors
International Journal of Quantum Chemistry, 1996A practical procedure (FUERZA) to obtain internal force constants from Cartesian second derivatives (Hessians) is presented and discussed. It allows a systematic analysis of pair atomic interactions in a molecular system, and it is fully invariant to the choice of internal coordinates of the molecule.
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Intramolecular Force Fields and Vibrational Amplitudes of Disulfur Monoxide Isotopes
Spectroscopy Letters, 1977Abstract The force constants of S2O have been calculated smploying GVFF and UBFF models. The reliability of the set of force constants have been examined. The mean amplitudes of vibration have also been evaluated at three temperatures, viz., 0°K, 298·15°K and 500°K. The results have been briefly discussed.
R. K. Goel +2 more
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The driving forces for twisted or planar intramolecular charge transfer
Physical Chemistry Chemical Physics, 2015The driving forces for twisting or planarization of excited D–A (donor–acceptor)-type chromophore have been investigated.
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On the Effects of Intramolecular van der Waals Forces
The Journal of Chemical Physics, 1960Evidence for the existence of strong nonbonded repulsions between atoms bonded to a given atom is cited. It is observed that bond angles in ethylene derivatives and related molecules can be correlated with a simple ``hard sphere'' model in which atomic positions are presumed to be governed by the sizes of spherical atoms packed around a given atom ...
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Characterization of Intermolecular and Intramolecular Interactions with the Atomic Force Microscope
2014The atomic force microscope (AFM) is a powerful nanoscale instrument that is capable of simultaneously imaging biomolecules and measuring the forces between biomolecules attached to the probe and the surface. In this review, we provide an introduction to the experimental and theoretical considerations that are involved in studying single molecular ...
Lee, Gil U +6 more
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Intramolecular forces and protein conformation
Discuss. Faraday Soc., 1965H. A. Scheraga +3 more
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Intramolecular force field for carboxylate Pt(II)-complexes
Theoretical Chemistry Accounts, 2022Diego F. S. Paschoal +1 more
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