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Orbital energies and nuclear forces in DFT: Interpretation and validation
(Wiley, 2020)
The bonding and antibonding character of individual molecular orbitals has been previously
shown to be related to their orbital energy derivatives with respect to nuclear
coordinates, known as dynamical orbital forces. ...
A distribution formula for Kashio's p-adic log-gamma function
(Elsevier, 2016)
We study a special case of Kashio's p-adic log Gamma-function, that we call Log Gamma(p), which combines these of Morita and Diamond. It agrees with each of these on large parts of its domain and has the advantage of being ...
A new assessment of the completeness of quasar surveys: Implications for the luminosity function
(UNIV CHICAGO PRESS, 1999-03-01)
We apply a simple statistical method to estimating the completeness of quasar surveys. It requires that an area has been covered by two or more, preferably different, selection techniques. We use three suitable data sets ...
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 ...
Regulatory Administrative Sanctions. Three premises on its function Sanciones administrativas regulatorias: Tres premisas sobre su function
(Pontifica Universidad Catolica de Chile, Programa de Derecho Administrativo Economico, 2020)
Using game authoring platforms to develop screen-based simulated functional assessments in persons with executive dysfunction following traumatic brain injury
(Academic Press Iinc Elsevier Science, 2017)
The assessment of functional status is a critical component of clinical neuropsychological evaluations used for both diagnostic and therapeutic purposes in patients with cognitive brain disorders. There are, however, no ...
Weaker conditions for subdifferential calculus of convex functions
(Elsevier, 2016)
In this paper we establish new rules for the calculus of the subdifferential mapping of the sum of two convex functions. Our results are established under conditions which are at an intermediate level of generality among ...
Exotic species modify the functional diversity patterns of freshwater fish assemblages in continental Chile: Examining historical and geographical patterns
(Elsevier, 2020)
The Neotropical region is an important reservoir of functional diversity of freshwater fish in the world. Recent studies have shown that functional and taxonomic diversity in this region has increased as a consequence of ...
Optimization of the parameters characterizing sigmoidal rate-level functions based on acoustic features
(Elsevier, 2014)
This paper describes the development of an optimal sigmoidal rate-level function that is a component of many models of the peripheral auditory system. The optimization makes use of a set of criteria defined exclusively on ...