نتایج جستجو برای: nucleus independent chemical nics

تعداد نتایج: 917632  

Journal: :Organic & biomolecular chemistry 2005
Kenneth K Laali Scott Hupertz Alice G Temu Sergio E Galembeck

Complexation of Ag(i) cation to a series of substituted anthracenes (AN), phenanthrenes (PH), pyrenes (PY) and cyclopenta[a]phenanthrenes (CPaPH) was studied in competitive experiments by allowing PAHs to react in pairs with AgOTf. The resulting complexes were examined by electrospray mass spectrometry (ES-MS) to determine relative abundances of the corresponding monomeric and dimeric complexes...

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...

Journal: :Dalton transactions 2010
Annemarie Schäfer André Schäfer Thomas Müller

2-Silaimidazolium ions and 2-silaimidazolidinium ions were synthesized by Lewis acid-base adduct formation between N-heterocyclic silylenes and silyl arenium ions. They were isolated in high yields as their [B(C(6)F(5))(4)](-) salts. These salts are stable at room temperature and were characterized by NMR spectroscopy supported by the results of density functional computations of molecular stru...

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: :Physical chemistry chemical physics : PCCP 2011
Chandrakala M Gowda Filipe Vasconcelos Erik Schwartz Ernst R H van Eck Martijn Marsman Jeroen J L M Cornelissen Alan E Rowan Gilles A de Wijs Arno P M Kentgens

Carbazole functionalized polyisocyanides are known to exhibit excellent electronic properties (E. Schwartz, et al., Chemistry of Materials, 2010, 22, 2597). The functionalities and properties of such materials crucially depend on the organization and stability of the polymer structure. We combine solid-state Nuclear Magnetic Resonance (NMR) experiments with first-principles calculations of isot...

F Ghaderi Pakdel S Semnanian Y Fathollahi

As one of the most important diffused brain modulatory systems, the nucleus locus coeruleus (LC) receives most of its afferents from the nucleus paragigantocellularis (PGi) and plays a major role in the control of drug dependence and some emotional and exciting states. For detailed investigation of the effect of morphine on relationship between these two brain stem nuclei, the activity of the r...

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...

Journal: :The journal of physical chemistry. A 2005
Dmitry Yu Zubarev Alexander I Boldyrev Xi Li Li-Feng Cui Lai-Sheng Wang

Photoelectron spectroscopy and ab initio calculations are used to investigate the electronic structure and chemical bonding of Si5(-) and Si5(2-) in NaSi5(-). Photoelectron spectra of Si5(-) and NaSi5(-) are obtained at several photon energies and are compared with theoretical calculations at four different levels of theory, TD-B3LYP, R(U)OVGF, UCCSD(T), and EOM-CCSD(T), all with 6-311+G(2df) b...

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