Search results for "force"
showing 10 items of 3423 documents
Über blei-haltige Heterocyclen
1990
Abstract Crystal structures of alternating six-membered rings [Ph2PbS]3-P21/c and [Ph2SnS]3-P21/n have been determined by X-ray methods. Both heterocycles exhibit a C2-symmetric twisted boat conformation with tetrahedral coordination of the metal atoms [dPbS 2.491 A (dSnS 2.401 A, dPbC 2.19 A (dSnC 2.129 A)]. No additional intermolecular contacts have been found. A ring-segment exchange reaction in solution has been observed by NMR. In the resulting equilibrium new cyclic compounds containing both tin and lead atoms with coupling constants 2J(207PbS119Sn) 226 Hz have been detected. FD-mass spectra indicate formation of dimeric molecular units.
“Through-space” nuclear spin–spin couplings in ferrocenyl polyphosphanes and diphosphino cavitands: A new way of gathering structural information in …
2009
Abstract Nuclear magnetic resonance is an invaluable technique for investigating a variety of important issues ranging from the determination of molecular structure to therapeutic medical imaging. In this respect, the indirect nuclear spin–spin coupling involving common nuclei such as 1 H, 13 C or 31 P provides, via the J constant, conclusive data for compound characterization in solution. This electron-mediated nuclear spin coupling is usually regarded as being transmitted by covalently bonded magnetic atoms. However, several experimental and theoretical studies, first focused on constrained organofluorides, and more recently devoted to phosphane ligands highlighted the existence of very i…
Quantum chemical calculations of formyl radicals
1975
The ground state (2 A′) of the fluoroformyl radical, FCO, has been investigated by the unrestricted Hartree-Fock method. Pulay's force method for open-shell systems has been applied to calculate the complete quadratic force field and the diagonal cubic force constants. The force relaxation method has been used to determine the equilibrium geometry of FCO: . Adjusting the diagonal force constants to the observed vibrational frequencies of 19F12C16O and taking the values for the off-diagonal force constants from the UHF calculations, the force field of FCO is found to be: . This force field is compared with experiment and with the force fields of HCO, H2CO, and F2CO. The ground state of the F…
ChemInform Abstract: “Through-Space” Nuclear Spin-Spin Couplings in Ferrocenyl Polyphosphanes and Diphosphino Cavitands: A New Way of Gathering Struc…
2010
Abstract Nuclear magnetic resonance is an invaluable technique for investigating a variety of important issues ranging from the determination of molecular structure to therapeutic medical imaging. In this respect, the indirect nuclear spin–spin coupling involving common nuclei such as 1 H, 13 C or 31 P provides, via the J constant, conclusive data for compound characterization in solution. This electron-mediated nuclear spin coupling is usually regarded as being transmitted by covalently bonded magnetic atoms. However, several experimental and theoretical studies, first focused on constrained organofluorides, and more recently devoted to phosphane ligands highlighted the existence of very i…
Prediction of the out-of-plane response of infilled frames under seismic loads by a new fiber-section macro-model
2016
This chapter suggests that an extension of the capability of the traditional inplane macro-models to capture the simultaneous in-plane and Out-Of-Plane (OOP) response of infills. A new simplified macro-model for the assessment of both in plane and out-of-plane responses of infilled frames was developed and validated. The possibility to simulate the arching action is achieved by using distributed plasticity fiber-section elements, able to directly account for the coupling between axial load and bending moment. The arching action is explicitly introduced by the use of fiber-section beam-column elements, which can model the coupling between axial-load and bending moment. The model presented is…
HP-Xe to go: Storage and Transportation of Hyperpolarized 129-Xe
2016
Abstract Recently the spin–lattice relaxation time T 1 of hyperpolarized (HP)- 129 Xe was significantly improved by using uncoated and Rb-free storage vessels of GE180 glass. For these cells, a simple procedure was established to obtain reproducible wall relaxation times of about 18 h. Then the limiting relaxation mechanism in pure Xe is due to the coupling between the nuclear spins and the angular momentum of the Xe–Xe van-der-Waals-molecules. This mechanism can be significantly reduced by using different buffer gases of which CO 2 was discovered to be the most efficient so far. From these values, it was estimated that for a 1:1 mixture of HP-Xe with CO 2 a longitudinal relaxation time of …
Quantum effects in the capture of charged particles by dipolar polarizable symmetric top molecules. II. Interplay between electrostatic and gyroscopi…
2013
ally nonadiabatic channel treatment of the capture of charged particles by dipolar polarizable symmetric top molecules with the aim to reveal quantum effects in the collision dynamics. In general, these effects are related to the discrete nature of the intrinsic, orbital, and total angular momenta, to the quantum character of passage of collision partners across effective potential barriers and drops, and to the interplay of two types of anisotropic interactions, the gyroscopic (Coriolis) and the electrostatic ones. The latter feature, in principle, leads to a coupling of capture channels. In the calculation of capture cross sections or rate coefficients, however, this coupling can be ignor…
The Rise and fall of a New Type of Crime against Humanity: the Crime against Humanity of Forced Marriage
2015
The practice of forced marriage rose as a new crime against humanity in the case law of the Special Court for Sierra Leone, but it has had a short and contentious life, being abandoned after a few years by other international criminal tribunals. This paper is devoted to the study of the international case law established by the international criminal tribunals -Special Court for Sierra Leone, and International Criminal Court- that have heard cases where allegations of force marriage have been raised up.
Moment-Axial Domain of Corroded R.C. Columns
2018
In the present paper, a simplified model to determine the moment-axial force domain of the cross-section of reinforced concrete columns subjected to corrosion process is presented. The model considers members with square and rectangular cross-sections and it accounts for cover spalling, buckling of longitudinal reinforcing bars, loss of bond of bar in tension, reduction of confinement pressures (due to the reduction of the area of stirrups and cracking of concrete induced by rust formation). The analytical expressions for prediction of the area reduction of steel, bond strength and critical load of longitudinal bars utilized were verified against experimental data available literature.
The mothering of conduct problem and normal children in Spain and the USA: authoritarian and permissive asynchrony.
2005
Ninety-two clinic-referred and nonclinical mother-child dyads in Spain and the USA were observed in their home settings under naturalistic conditions for a total of 477 hours. Children in the clinic-referred dyads were considered troubled because of conduct problems. The observations were aimed at assessing two forms of mother-child asynchrony, either of which was expected to differentiate clinic referred from nonclinical dyads. Authoritarian asynchrony was defined as a mother's indiscriminate use of aversive reactions to her child, whereas the permissive form entailed indiscriminate positive reactions. Results showed the American mothers to generate more permissive asynchrony, whereas the …