Search results for "–O"
showing 10 items of 201 documents
Quantum-chemical calculation of Born–Oppenheimer breakdown parameters to rotational constants
2010
The paper describes how Born–Oppenheimer breakdown parameters for the rotational constants of diatomic molecules can be determined via quantum-chemical computations. The deviations from the Born–Oppenheimer equilibrium values are accounted for by considering the adiabatic correction to the equilibrium bond distances, the electronic contribution to the rotational constant via the rotational g tensor, and the so-called Dunham correction, which can be computed directly from a polynomial expansion of the potential curve around the equilibrium distance. Calculations for HCl, SiS, and HF demonstrate the accuracy that can be achieved in the theoretical treatment of the considered Born–Oppenheimer …
Fine-tuning of the confined space in microporous metal–organic frameworks for efficient mercury removal
2017
Offsetting the impact of human activities on the biogeochemical cycle of mercury has become necessary for a sustainable planet. Herein, we report the development of a water-stable and eco-friendly metal–organic framework, which has the formula {Cu4II[(S,S)-methox]2}·5H2O (1), where methox is bis[(S)-methionine]oxalyl diamide. Its features include narrow functional channels decorated with thioalkyl chains, which are able to capture HgCl2 from aqueous media in an efficient, selective, and rapid manner. The conscious design effort in terms of size, shape, and reactivity of the channels results in extremely efficient immobilization of HgCl2 guest species in a very stable conformation, similar t…
Relatedness Does not Affect Competitive Behavior of Rival Males or Offspring Growth in Multiply Sired Litters of Bank Voles (Myodes glareolus)
2014
Kin selection operates through the fitness of an organism's relatives. In the polyandry context, kin selection may be observable on the one hand in competition between rival males and, on the other hand, in competition between litter mates. Sperm competition theory predicts that males should invest less into mating when competing for fertilizations against a close relative as compared to an unrelated male. We tested this hypothesis with bank voles (Myodes glareolus) by mating each focal male to two females: one of which had previously mated with a full sibling of the focal male and the other one with a male unrelated to the focal male. However, we found no effect of rival male relatedness o…
Genomic conflicts and sexual antagonism in human health: Insights from oxytocin and testosterone
2015
We review the hypothesized and observed effects of two of the major forms of genomic conflicts, genomic imprinting and sexual antagonism, on human health. We focus on phenotypes mediated by peptide and steroid hormones (especially oxytocin and testosterone) because such hormones centrally mediate patterns of physical and behavioral resource allocation that underlie both forms of conflict. In early development, a suite of imprinted genes modulates the human oxytocinergic system as predicted from theory, with paternally inherited gene expression associated with higher oxytocin production, and increased solicitation to mothers by infants. This system is predicted to impact health through the i…
Road project opportunity costs subject to a regional constraint on greenhouse gas emissions
2012
Abstract France has constrained the Aquitaine region to set up a climate plan to avoid an emission of 2883 ktCO 2 eq for the period 2007–2013. In parallel, the region has decided to carry out the construction of road infrastructures in order to avoid very high congestion costs. Those road projects will involve an increase in greenhouse gas (GHG) emissions during that period. In the present context of strong sustainability, all emissions (direct and indirect) generated by those projects should be offset. At the regional level, the offsetting of GHG emissions is usually carried out by implementing carbon sequestration projects or projects that reduce energy demand. This paper aims at determin…
Capturing Hydrophobic Trifluoroiodomethane in Water into an M 4 L 6 Cage
2016
Synthetically important trifluoroiodomethane (CF3I) was trapped in water by using a metal–organic supramolecular anionic cage. Under ambient conditions, nearly 1:1 encapsulation of the hydrophobic, gaseous CF3I substrate with the cage was observed, and its binding constant was calculated by relative comparison with benzene encapsulation.
Intrinsic Hardy–Orlicz spaces of conformal mappings
2014
We define a new type of Hardy-Orlicz spaces of conformal mappings on the unit disk where in place of the value |f(x)| we consider the intrinsic path distance between f(x) and f(0) in the image domain. We show that if the Orlicz function is doubling then these two spaces are actually the same, and we give an example when the intrinsic Hardy-Orlicz space is strictly smaller.
Calculating the regional economic impact of the olympic games
2004
This study introduces a methodological concept to combine the cost‐benefit analysis and input‐output models to create a new method to regionalize Olympic costs and benefits in order to define the economic impact at the regional level. This new form of analysis is used to calculate the regional economic impact of the Frankfurt Rhein/Main region, which bid to stage the 2012 Olympics. A generalised view of the Frankfurt case study shows patterns that are valid for all impact studies of major sport events. Finally a sensitivity analysis is used to determine critical variables.
Understanding the Impact of Opinion Leaders’ Characteristics on Online Group Knowledge-Sharing Engagement from In-Group and Out-Group Perspectives: E…
2019
Opinion leaders often play key roles in online knowledge-sharing communities, which has intrigued a lot of researchers and practitioners worldwide. However, it is not clear how various characteristics of opinion leaders may affect different online groups&rsquo
Multiple Objective Analysis of Input-Output Models for Emergency Management
1990
This paper shows how a visual, interactive, dynamic multiple objective linear programming decision support system can effectively be used for analyzing input-output models. We have applied our approach to studying the quantitative effects of economic or political crises to the Finnish economy. Examples of such crises are nuclear power plant accidents, trade embargoes, and international conflicts. An input-output model of the Finnish economy with 17 industries (sectors) is employed. Our system has been implemented on a microcomputer and is being used by the National Board of Economic Defense. Several typical case situations are discussed.