In this study, the effect of fullerene electron mobility on the composition of paraphenylenediamine and stability was studied. Using quantum chemistry calculations, the first combination of paraffenylenediamine in a single-full-time region connected with fullerene through carbon atoms was reported. Experimental research was simulated and optimized using GIS software. Then the NBO calculations w...

in this research at the first enalapril drug and its fullerene derivative were optimized. nbo calculations and nmr for the complexes were carried out at the b3lyp/6-31g* quantum chemistry level. different parameters such as energy levels, the amount of chemical shift in different atoms, the amount of homo/lumo, chemical potential (µ ), chemical hardness (η), the coefficients of hybrid bonds (π,...

In this paper, we built an agent-based model to integrate and synthesize social science theories to inform online community design. As an example, we use the model to examine how various styles of moderating online conversations affect community performance. We compared three styles of moderation – no moderation, in which all members are exposed to all messages; community-level moderation, in w...

In this research at the first, captopril drug (CA) and its fullerene connected form (FCA) wereoptimized. Natural Bond Orbital (NBO) calculations for these compounds were carried out at theB3LYP/6-31G quantum chemistry level, in the gas phase and the liquid phase. These calculations canbe performed at different accuracy levels depending on the aim of the theoretical study [1]. Forinstance, Densi...

Resum Moderation in virtual communities should not be a private privilege. This paper proposes a method for participants in a social network to decide their own rules for accepting (or not) contents. With the norm argument map, participants are able to argue about norms and voice their opinions about other people?s arguments. This structure, equipped with a method to fuse all the data introduce...

Resum Moderation in virtual communities should not be a private privilege. This paper proposes a method for participants in a social network to decide their own rules for accepting (or not) contents. With the norm argument map, participants are able to argue about norms and voice their opinions about other people?s arguments. This structure, equipped with a method to fuse all the data introduce...

The variance components models for gene-environment interaction proposed by Purcell in 2002 are widely used. In both the bivariate and the univariate parameterization of these models, the variance decomposition of trait T is a function of moderator M. We show that if M and T are correlated, and moderator M is correlated between twins as well, the univariate parameterization produces a considera...

The current study presents a conceptual framework for the moderation of the relationship between implicit and self-attributed motive congruency and psychological well-being. Consistent with this framework, we found evidence for such moderation effects for predicting life satisfaction in a secondary data analysis of a sample (N = 441) drawn from the Eugene-Springfield Community Sample longitudin...

In this paper, I explore conditions that contribute to a rare outcome in ethnic party systems: the election of parties with moderate positions on interethnic relations. More specifically, I investigate why voters of the small, impoverished, and ethnically fragmented states of Bosnia and Macedonia, which share the same electoral system, chose parties with divergent positions on interethnic relat...

We show how to include a chemical potential µ in perfect lattice actions. It turns out that the standard procedure of multiplying the quark fields Ψ, ¯ Ψ at Euclidean time t by exp(±µt), respectively, is perfect. As an example, the case of free fermions with chemical potential is worked out explicitly. Even after truncation, cutoff effects in the pressure and the baryon density are small. Using...