نتایج جستجو برای: explicit and implicit solvation models

تعداد نتایج: 16933240  

Farhad Golpour Saeideh Ahangari

The present study aimed at investigating the effects of explicit and implicit recasts on Iranian EFL learners' acquisition of English relative clauses. For this purpose, 64 participants were selected out of 94 intermediate level EFL learners at Falagh language Institute, Rasht, Iran. To have homogenized groups, the researcher administered a language proficiency test (TOEFL). Then, the researche...

Journal: :Journal of chemical theory and computation 2015
Nanjie Deng Bin W Zhang Ronald M Levy

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibra...

Journal: :پژوهش ادبیات معاصر جهان 0
سید محمد علوی شادی دینی

this study examines the efficiency of pedagogical intervention in raising l2 pragmatic awareness of the iranian efl learners. more specifically, it seeks to investigate the difference between explicit and implicit instructions in improving pragmatic appropriateness of the english refusals by adult persian native speakers in an efl classroom context. fifty-four participants, with approximately t...

Journal: :Journal of molecular graphics & modelling 2014
Saeed Reza Emamian Luis Ramón Domingo Sayyed Faramarz Tayyari

The tautomeric conversion of pyridazin-3(2H)-one 1 into pyridazin-3-ol 2 has been theoretically studied using density functional theory (DFT) methods at the B3LYP/6-311++G** level. Two mechanisms have been considered for this process: (i) one in which the hydrogen is directly transferred through TS12; and (ii) another one in which a double hydrogen transfer takes place via TS1122 upon formation...

2013
HENRY L. ROEDIGER

In describing phenomena associated with memory, people typically rely on an implicit or intuitive theory that assumes the mind is like a space in which memories are stored, just as objects are stored in physical space. Utilization of information is often described as a search process through the space. The argument is briefly presented that almost all explicit memory theories embody the same as...

2002
Brian A. Nosek Mahzarin R. Banaji

Introduction Implicit attitudes are preferences that exist outside of conscious awareness or conscious control. Recent evidence demonstrates that these preferences are variably related to selfreported (explicit) measures of preference. For example, Nosek, Banaji, & Greenwald (in press; Group Dynamics) showed that correspondence between implicit and explicit measures partially depends on the tar...

2001
SERGIO ALBEVERIO KONSTANTIN A. MAKAROV

Fredholm determinant asymptotics of convolution operators on large finite intervals with rational symbols having real zeros are studied. The explicit asymptotic formulae obtained can be considered as a direct extension of the Ahiezer-Kac formula to symbols with real zeros.

2011
István Kolossváry Miklós Telek

We present an explicit method to evaluate the nonnegativity of order 3 Matrix exponential functions.

2008
R. LÜCK D. FRETTLÖH

Colour symmetries with ten colours are presented for different tilings. In many cases, the existence of these colourings were predicted by group theoretical methods. Only in a few cases explicit constructions were known, sometimes using combination of two-colour and five-colour symmetries. Here we present explicit constructions of several of the predicted colourings for the first time, and disc...

2005
Cheng Zhang Amin Hammad Tarek M. Zayed Gabriel Wainer Hong Pang

Space is one of the resources that may cause crucial problems during construction. Discrete event simulation has been widely used in construction to allocate resources and improve productivity or mitigate conflicts. However, simulation research that provides an explicit method to investigate possible space conflicts is still limited. This paper suggests a cell-based modeling approach to represe...

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