نتایج جستجو برای: اندیس nics

تعداد نتایج: 1904  

2002
Piyush Shivam Pete Wyckoff Dhabaleswar K. Panda

Modern high speed interconnects such as Myrinet and Gigabit Ethernet have shifted the bottleneck in communication from the interconnect to the messaging software at the sending and receiving ends. The development of userlevel protocols and their implementations on smart and programmable network interface cards (NICs) have been alleviating this communication bottleneck. Most of the userlevel pro...

Journal: :Physical chemistry chemical physics : PCCP 2009
Athanassios C Tsipis

In the present study it was demonstrated that the NICS(zz)-scan patterns along with symmetry-based selection rules can unequivocally probe the antiaromaticity in a wide range of antiaromatic organic and inorganic rings/cages. The NICS(zz)-scan profiles typical of antiaromaticity correspond to symmetric curves around the axis perpendicular to the ring plane with the positive NICS(zz)(R) values d...

2003
CRISTÓBAL KAY

Scholars and policy makers have long debated the causes of the spectacular economic success achieved by the East Asian newly industrialisin g countries (NICs) as well as the lessons that other developing countries can learn from this development experience. Latin America started to industrialise many decades before the East Asian NICs and yet was quickly overtaken by them in the last few decade...

2009
Jônatas Manzolli Adolfo Maia José Fornari Marcelo F. Caetano

Part of the University of Campinas (UNICAMP, www.unicamp.br), the Interdisciplinary Nucleus of Sound Communication (NICS, www.nics.unicamp.br) was founded in 1983 by the composer Raul do Valle and collaborators. Since then, NICS has maintainined a longstanding list of participations in the academic and artistic musical scenario, specially the ones concerning the application of mathematical mode...

Journal: :Physical chemistry chemical physics : PCCP 2016
Sofie Van Damme Guillaume Acke Remco W A Havenith Patrick Bultinck

Aromatic compounds are characterised by the presence of a ring current when in a magnetic field. As a consequence, current density maps are used to assess (the degree of) aromaticity of a compound. However, often a more discrete set of so-called Nucleus Independent Chemical Shift (NICS) values is used that is derived from the current density. It is shown here that there is no simple one-to-one ...

Journal: :Pain 2012
Veit Mylius Jeffrey J Borckardt Jean-Pascal Lefaucheur

Noninvasive cortical stimulation (NICS) can produce analgesic effects by means of repetitive transcranial magnetic stimulation or transcranial direct current stimulation (tDCS). Such effects have been demonstrated on chronic ongoing pain, as in acute provoked pain. The investigation of induced changes in the perception of experimental pain by NICS could help clinicians and researchers to better...

Journal: :The Journal of organic chemistry 2006
Jordi Poater Josep M Bofill Pere Alemany Miquel Solà

The nucleus-independent chemical shifts (NICS) and electron density profiles along the inner and outer regions defined by the two stacked aromatic rings of [2.2]paracyclophane have been analyzed and compared to those of free benzene and p-xylene and benzene dimers taken as reference models. It is found that stacked aromatic rings show a reduction of the NICS indicator of aromaticity as compared...

2010
Ferran Feixas J. Oscar C. Jiménez-Halla Eduard Matito Jordi Poater Miquel Solà

As compared to classical organic aromatic compounds, the evaluation of aromaticity in all-metal and semimetal clusters is much more complex. For a series of these clusters, it is frequently found that different methods used to discuss aromaticity lead to divergent conclusions. For this reason, there is a need to evaluate the reliability of the different descriptors of aromaticity to provide cor...

2006
J. Oscar C. Jiménez-Halla Eduard Matito Juvencio Robles Miquel Solà

A series of monocyclic planar inorganic compounds have been optimized at the B3LYP/6-311+G* level. GIAO-B3LYP nucleus-independent chemical shifts (NICS) profiles calculated in the perpendicular direction of each ring show that the series of analyzed compounds can be classified in three groups according to their aromatic, non-aromatic or antiaromatic character. Our results suggest exercising cau...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه لرستان - دانشکده علوم پایه 1393

در این تحقیق اثر الکترونگاتیوی برای استخلاف های f, cl, no2 , cf3 برروی آروماتیسیته مولکول بنزن مورد مطالعه قرار گرفته است. nics, ase, homa, homo-lumo energy gapsشاخص هایی هستند که برای نمایش تاثیر استخلاف ها به کار برده می¬شوند.علاوه بر این الکترون های انتقالی توسط پیوند سیگما وپای نیز برای همه مولکول های استخلاف شده مورد نظر محاسبه شده¬اند.نتایج بدست آمده برای این روش ها با یکدیگر متفاوت است.ب...

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