Special issue: II Congress of Theoretical and Computational Physical Chemistry. 2-4 of December of 2008, Choroni, Venezuela

نویسندگان

  • Humberto Soscún
  • Fernando Ruette
  • Anibal Sierraalta
چکیده

The present issue of the Journal of Computational Methods in Science and Engineering (JCMSE) is especially devoted to the II Congreso de Fisicoquı́mica Teórica y Computacional (II Congress of Theoretical and Computational Physical-Chemistry) (II CFQTC). This Congress took place at Choronı́, Venezuela, December 2–4 of 2008. II CFTC has considered different areas of general interest: molecular modeling, theoretical chemistry, computational catalysis, bioinformatic and medicinal chemistry, calculations of reaction mechanisms and kinetics, prediction of molecular electric and magnetic properties and finally and chemical process simulation in the industry. Invited researchers attended to the Congress (8 plenary lectures), all of them, of high scientific quality, as confirmed by their recent publications and curriculum vitae. Moreover, more than 80 posters distributed into three sessions were also presented. The subjects and corresponding invited opening lectures were:

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Experimental and theoretical studies on green and efficient deoximation using H202 catalyzed by Montmorillonite-K10 supported MnC12

Oximes were oxidized to the corresponding carbonyl compounds in good to high yields by ecofriendlyand green oxidant, H202 catalyzed by Montmorillonite K-10 supported Mangenese(II)Chloride. The structures of these compounds were favorably compared with the results of ab initiocalculations at three temperatures. Computational methods allow for the visualization of largeamounts of structural data ...

متن کامل

(1E,2E) -bis (2-aminophenyl) N'1,N'2-dihydroxyethane bis (imidothioate) as a neutral carrier in ion-selective electrode for Ni(II) and it computational studies

A PVC membrane Ni(II) ion selective electrode has been constructed using (1E,2E)-bis(2-aminophenyl)N'1,N'2-dihydroxyethanebis as membrane carrier. The electrode exhibited a goodpotentiometric response for Ni(II) over a wide concentration range 1.0×10-4 to 1.0×10-1M with aslope of 29.4±0.5 mV/decade a and a working pH range of 6.5-9.0. It had a fast response time of≤20s. The best performance was...

متن کامل

Molecular Modeling Studies on Vinblastine Binding Site of Tubulin for Antimitotic agents

Medicinal chemistry depends on many other disciplines ranging from organic chemistry andpharmacology to computational chemistry. Typically medicinal chemists use the moststraightforward ways to prepare compounds. The validation of any design project comes from thebiological testing.Studies of the binding site of vinblastine by a single cross—linking experiment identified it asbeing between resi...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • J. Comput. Meth. in Science and Engineering

دوره 9  شماره 

صفحات  -

تاریخ انتشار 2009