نتایج جستجو برای: self consistent reaction field scrf solvent

تعداد نتایج: 1956439  

2003
Kentaro Tanaka Akimichi Takemura

We consider maximum likelihood estimation of finite mixture of uniform distributions. We prove that the maximum likelihood estimator is strongly consistent, if the scale parameters of the component uniform distributions are restricted from below by exp(−nd), 0 < d < 1, where n is the sample size.

Journal: :journal of physical & theoretical chemistry 2009
n. khodayari b. honarparvar m. monajjemi k. parivar

theoretically predictionq of the solvent effects of i - pentadecanoyl - 2 -docosahexaennyl - sn - glycerol3 - phosphocholin have been studied using 'jamey-lock quantiun chemical approximation and std - 30basis set within the onsager self-consistent reaction field (scrs') model all optimized conformers of i -pentadecanoyl - 2 -docosahexaenoyi - sn - glycerol 3 - phosphocholin as well as their to...

B. Honarparvar K. Parivar M. Monajjemi N. Khodayari

Theoretically predictionq of the solvent effects of I - pentadecanoyl - 2 -docosahexaennyl - Sn - glycerol3 - phosphocholin have been studied using 'Jamey-lock quantiun chemical approximation and STD - 30basis set within the Onsager Self-Consistent Reaction field (SCRS') model All optimized conformers of I -pentadecanoyl - 2 -docosahexaenoyI - Sn - glycerol 3 - phosphocholin as well as their to...

1998
William A. McHale Andrei G. Kutateladze

Irradiation of dithiane-aldehyde/ketone adducts in the presence of benzophenone leads to C-C bond cleavage regenerating the carbonyl compounds. It is established that the mechanism of this reaction involves photochemically induced single electron transfer from the dithiane moiety to the excited molecule of ET-photosensitizer, accompanied by mesolytic C-C cleavage in the generated cation-radical...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه رازی - دانشکده علوم 1390

abstract in first part of this project, the use of a new and biguanid-like catalyst supported on silica as a recyclable catalyst provides a new route for the synthesis of a variety of arylalkylidene rhodanine derivatives through knoevenagle reaction in at present of solvent at room temperature. rhodanine derivatives and especially arylalkylidene rhodanines have proven to be attractive compound...

2005
Tugkan Batu Süleyman Cenk Sahinalp

Locally consistent parsing (LCP) is a context sensitive partitioning method which achieves partition consistency in (almost) linear time. When iteratively applied, LCP followed by consistent block labeling provides a powerful tool for processing strings for a multitude of problems. In this paper we summarize applications of LCP in approximating well known distance measures between pairs of stri...

2011
Ana Elizabeth Torres Thangarasu Pandiyan Fernando Colmenares

MCSCF-MRMP2 and DFT calculations were performed in order to analyze the stability and geometrical parameters of some possible intermediates for the reactions Ru2+ + H2O2 and Ru(H2O)6 + H2O2. At MCSCF-MRMP2 level of calculation, the stability predicted for the RuO(H2O)5 suggests an energetic preference of the reaction Ru(H2O)6 + H2O2 toward the products involving this high-valence intermediate, ...

2008
Simon C Barry

Reviews of studies to predict invasiveness have been carried out by Kolar and Lodge (2001) and updated by Hayes and Barry (2008). A significant body of literature has built up across a range of taxa looking at correlates of invasion success. Several points can be made from this literature. First, while invasiveness cannot be predicted with certainty, statistical approaches can produce models th...

Journal: :Journal of Chemical Education 2005

نمودار تعداد نتایج جستجو در هر سال

با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید