Results 251 to 260 of about 1,951,898 (293)
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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 ${3}^{2,2}$(${\mathrm{P}}^{5+}$)${\mathrm{II}}^{2}$(${\mathrm{P}}^{5+}$)${3}^{2,2}$.
Kasimir Fajans, Theodore Berlin
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Intramolecular Force Contrast and Dynamic Current-Distance Measurements at Room Temperature [PDF]
Physical Review Letters, 2015 Scanning probe microscopy can be used to probe the internal atomic structure of flat organic molecules. This technique requires an unreactive tip and has, until now, been demonstrated only at liquid helium and liquid nitrogen temperatures. We demonstrate intramolecular and intermolecular force contrast at room temperature on PTCDA molecules adsorbed on
Carmen Ocal +2 more
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Stereochemical Consequences of Intramolecular Attractive Forces
Journal of Chemical Physics, 1955exaly +2 more sources
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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Parametrization and Validation of Intramolecular Force Fields Derived from DFT Calculations
Journal of Chemical Theory and Computation, 2007The energy and its first and second geometrical derivatives obtained by DFT calculations for a number of conformations of a single molecule are used to parametrize intramolecular force fields, suitable for computer simulations. A systematic procedure is proposed to adequately treat either fully atomistic or more simplified force fields, as within the ...
CACELLI, IVO, PRAMPOLINI . G.
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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 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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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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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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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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