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J-GLOBAL ID：201502295380979356   Reference number：14A1425172

Comparative PM6 and PM3 study on heats of formation for high energetic materials

高エネルギー物質の生成熱に関する比較PM6およびPM3研究【Powered by NICT】
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Author (3)：
Ju Xuehai

About Ju Xuehai

(School of Chemical Engineering, Nanjing Univ. of Sci. and Technol. Key Lab. of Soft Chemistry and Functional ...)

About School of Chemical Engineering, Nanjing Univ. of Sci. and Technol. Key Lab. of Soft Chemistry and Functional ...

, 
Zeng Xiulin

About Zeng Xiulin

(School of Chemical Engineering, Nanjing Univ. of Sci. and Technol. Key Lab. of Soft Chemistry and Functional ...)

About School of Chemical Engineering, Nanjing Univ. of Sci. and Technol. Key Lab. of Soft Chemistry and Functional ...

, 
Gong Chengzhang

About Gong Chengzhang

(School of Chemical Engineering, Nanjing Univ. of Sci. and Technol. Key Lab. of Soft Chemistry and Functional ...)

About School of Chemical Engineering, Nanjing Univ. of Sci. and Technol. Key Lab. of Soft Chemistry and Functional ...


Material：
Jisuanji yu Yingyong Huaxue  (Computers and Applied Chemistry)

About Jisuanji yu Yingyong Huaxue


Volume： 31  Issue： 4  Page： 445-450  Publication year： 2014 
JST Material Number： C2534A  ISSN： 1001-4160  CODEN： JYYHE6  Document type： Article
Article type： 原著論文  Country of issue： China (CHN)  Language： ENGLISH (EN)
Abstract/Point：
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Semi-empirical quantum chemica...
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Thesaurus term：
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All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
calibration

About calibration

, 
specific heat

About specific heat

, 
effective value

About effective value

, 
semiempirical method

About semiempirical method

, 
PM3 method

About PM3 method

, 
screening(inspection)

About screening(inspection)

, 
*heat of formation

About heat of formation


Semi thesaurus term：
Thesaurus term/Semi thesaurus term
Keywords indexed to the article.
All keywords is available on JDreamIII(charged).
On J-GLOBAL, this item will be available after more than half a year after the record posted. In addtion, medical articles require to login to MyJ-GLOBAL.
高エネルギー物質

About 高エネルギー物質

, 【Automatic Indexing@JST】
JST classification (1)：
JST classification
Category name(code) classified by JST.
Electronic structure of molecules 
(BH05010Q)

About Electronic structure of molecules

Terms in the title (3)：
Terms in the title
Keywords automatically extracted from the title.
高エネルギー物質

About 高エネルギー物質

, 
生成熱

About 生成熱

, 
研究

About 研究


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