Results 191 to 200 of about 69,738 (237)
Anisotropy-dependent chirality transfer from cellulose nanocrystals to β-FeOOH nanowhiskers. [PDF]
Chem SciTang J, Feng S, Yang M.
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Sculpting molecules in text-3D space: a flexible substructure aware framework for text-oriented molecular optimization. [PDF]
BMC BioinformaticsZhang K +7 more
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Some of the next articles are maybe not open access.
On the CH bond dipole moment in alkanes
The Journal of Chemical Physics, 1987The Thomas–Reiche–Kuhn sum rule, within the acceleration gauge for the transition dipole moment, is used to partition the total number of electrons in a molecule and to define atomic populations, which can be related to corresponding experimental estimates of atomic polar tensors from IR intensities.
P. LAZZERETTI +2 more
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The Dipole Moment and Nature of the Chemisorption Bond
Zeitschrift für Elektrochemie, Berichte der Bunsengesellschaft für physikalische Chemie, 1959AbstractExperimental results are given for the change of work function of three sp metals, copper, silver, gold, and of three transition metals, iron, cobalt, nickel when hydrogen and carbon monoxide are separately chemisorbed at — 192 °C on these metals in the form of an evaporated film, using the space‐charge limited diode method.
F. C. Tompkins, J. Pritchard, R. Culver
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The Dipole Moment Derivative of the Hydrogen Bond in Ice [PDF]
Canadian Journal of Chemistry, 1972 The dipole moment derivative of the hydrogen bond in ice has been calculated assuming that the molecules can be represented as non-overlapping polarizable charge distributions characterized by dipole and quadrupole moments. The value is 0.1 electron charges which is about one third of the experimental value obtained from the far-infrared spectrum. The
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An upper bound to bond electric dipole moments [PDF]
Theoretical and Experimental Chemistry, 1985 An upper bound can be set to the dipole moment of the X-H bond (with X+H− polarity) for symmetrical molecules of XH4 and XH3 type from the experimental values of the g factor and bond length. The following upper bounds have been found to the bond dipole moments: CH4 μ(C+H−
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A valence bond study of the dipole moment of CO
Journal of Molecular Structure: THEOCHEM, 1992Abstract Valence bond calculations of the dipole moment of CO are reported. Unlike the molecular orbital approximation, the simplest valence bond wavefunction gives the correct sign for the dipole moment. The molecular orbital wavefunction is analysed using insights from the valence bond calculations.
Mark R. Morrison +2 more
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Electric bond and group dipole moments
Tetrahedron, 1969Abstract Three concepts of bond moments are discussed to demonstrate that theoretical values, those determined from spectral intensities, and those from the analysis of experimental dipole moments cannot be combined into a satisfactory single scale of bond and group moments.
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Modelling and calculation of dipole moment functions for XH bonds
Canadian Journal of Chemistry, 1999Two studies of aspects of modelling dipole moment functions of XH bonds in small molecules for use in calculating overtone intensities have been undertaken. The first study deals with the fitting of ab initio calculations of the dipole moment at discrete points to a functional form.
Martin L. Sage +3 more
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