Buscar
Mostrando ítems 1-10 de 1452
Reactivity indices and response functions in density functional theory
(Elsevier, 1998)
The hardness and softness quantities defined in density functional theory are discussed. A new scheme to calculate the hardness and softness hierarchies without resorting to the finite difference approximation is outlined. ...
Theory of non-local (pair site) reactivity from model static-density response functions
(Springer New York, 1998)
Activation is a fundamental and well-known concept in chemistry. It may be qualitatively defined as an increase in the chemical reactivity pattern of a molecule at a given site k when the system is locally perturbed at a ...
Numerical study on long-term monopile foundation response
(Taylor & Francis INC, 2018)
This paper analyzes the long-term monopile foundation that undergoes numerous mechanical cycles. The semiempirical scheme is adopted to involve a mechanical constitutive model to extract stress and strains at the first ...
The unfolded protein response: at the intersection between endoplasmic reticulum function and mitochondrial bioenergetics
(Frontiers Media, 2017)
Endoplasmic reticulum (ER) to mitochondria communication has emerged in recent years as a signaling hub regulating cellular physiology with a relevant contribution to diseases including cancer and neurodegeneration. This ...
Helicobacter pylori Exhibits a Fur-Dependent Acid Tolerance Response
(2011)
Background: Helicobacter pylori colonizes the acid environment of the gastric mucosa. Like other enteric bacterial pathogens, including Salmonella enterica, which must survive a brief exposure to that environment, H. pylori ...
An explicit approach to conceptual density functional theory descriptors of arbitrary order
(Elsevier, 2016)
We present explicit formulas for arbitrary-order derivatives of the energy, grand potential, electron density, and higher-order response functions with respect to the number of electrons, and the chemical potential for any ...
Sexual function, menopause and hormone replacement therapy (HRT)
(Elsevier, 2004)
Objective: To assess the prevalence of female sexual dysfunction in premenopausal and postmenopausal women with and
without hormone replacement therapy (HRT). To determine the relationship between menopause and sexual ...
Ensemble classification method for structural damage assessment under varying temperature
(SAGE Publications Ltd, 2017)
Vibration-based damage assessment approaches use modal parameters, such as frequency response functions, mode shapes, and natural frequencies, as indicators of structural damage. Nevertheless, these parameters are sensitive ...
Brief communication: Neonatally administered capsaicin induces functional disturbances in the carotid afferent pathway to the nucleus tractus solitarius
(Informa Healthcare, 1992)
The effect of neonatal capsaicin treatment on chemo- and/or barosensory input to the medulla was studied in 35-40-day-old rats. By means of responses evoked in the nucleus tractus solitarius by stimulating the ipsilateral ...