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A theoretical study of c-C5H8 adsorption on Ge (0 0 1)-2 × 1 and on dimer vacancies on the surface: Electronic structure and bonding
(Elsevier Science, 2010-08)
In this work we analyzed the geometry and the chemical interactions for c-C5H8 adsorption on Ge (0 0 1), using density functional theory calculations (DFT). We examined the changes in the atomic interactions using a slab ...
Experimental and theoretical study of the hydration of phosphate groups in esters of biological interest
(Pergamon-Elsevier Science Ltd, 2007-04)
We have studied the influence of different groups esterified to phosphates on the strength of the interaction of the P{single bond}O bond with one water molecule. Experimental vibrational spectra of PO43-, HPO42-, H2PO4-, ...
Interfacial integrity of low-shrinkage composite restorations related to the filling technique and consistency
(Taylor & Francis Ltd, 2014-09-01)
Purpose: To evaluate the influence of filling techniques and consistency of low-shrinkage composites on the bond strength and internal gap formation in Class I bonded restorations. Two low-shrinkage restorative systems ...
Breaking bonds with electrons: stepwise and concerted reductive cleavage of C–S, C–Se and Se–CN bonds in phenacylthiocyanates and phenacylselenocyanates
(Royal Society of Chemistry, 2015-01)
The mechanistic aspects of the electrochemical reduction of phenacylthio- and selenocyanates have been studied. With phenacylthiocyanates (1), a change in the reductive cleavage mechanism is observed as a function of the ...
Money talks?: Secrecy and money management in the family affective bonds of women who perform sex commerce in Argentina
(Routledge, 2019)
Family, even with its historical transformations, has been in charge of controlling and administering domesticity, sexualities, and finances, making family bonds a key dimension to consider in the discourses of women who ...
Informational efficiency in distressed markets: The case of European corporate bonds
(Economic and Social Studies, 2014-08)
This paper investigates the effect of the 2008 financial crisis on informational efficiency by carrying out a long-memory analysis of European corporate bond markets. We compute the Hurst exponent for fifteen sectorial ...
Microsolvation of Sr2+ , Ba2+: Structures, energies, bonding, and nuclear magnetic shieldings
(John Wiley & Sons Inc, 2021-06)
An exhaustive exploration using non–relativistic and four–component relativistic formalisms of the potential energy surfaces for the microsolvation of Sr2+, Ba2+ with up to n = 6 water molecules is presented in this work. ...
Covalent bond orders revisited: The open-shell case
(Royal Society of Chemistry, 2008-06)
This article states the concept of covalent bond order for open-shell systems from the invariance properties of the first- and second-order reduced density matrices for all the components of a multiplet state. A general ...