關鍵字查詢 | 類別:期刊論文 | | 關鍵字:C24N4

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序號 學年期 教師動態
1 84/1 化學系 王伯昌 教授 期刊論文 發佈 A semiempirical study of C24N4 and its boron-nitrogen analogs , [84-1] :A semiempirical study of C24N4 and its boron-nitrogen analogs期刊論文A semiempirical study of C24N4 and its boron-nitrogen analogs王伯昌; Wang, Bo-cheng; 余良杰; Yu, Liang-jye; 王文竹; Wang, Wen-jwu淡江大學化學學系Hoboken: John Wiley & Sons, Inc.International journal of quantum chemistry 57(3), pp.465-470The results of semiempirical calculations on the heterofullerence C24N4 and its boron-nitrogen analogs B6N10C12 (the smallest CBN ball) are presented in accordance with considerations of chemical bondings and geometries. The structures and relative properties of the 28-atom cages, C28, C24N4, and B6N10C12, were investigated using semiempirical methods contained in the MOPAC program. C24N4 and B6N10C12 have Td and C3 symmetry, respectively. B6N10C12 has four geometric isomers, and their optimized structures were determined. The ionization energies, vibrational frequencies, ir intensities, and various thermodynamic properties (including entropy and heat capacity) for C24N4 and B6N10C12 were calculated by
2 84/1 化學系 余良杰 教授 期刊論文 發佈 A semiempirical study of C24N4 and its boron-nitrogen analogs , [84-1] :A semiempirical study of C24N4 and its boron-nitrogen analogs期刊論文A semiempirical study of C24N4 and its boron-nitrogen analogs王伯昌; Wang, Bo-cheng; 余良杰; Yu, Liang-jye; 王文竹; Wang, Wen-jwu淡江大學化學學系Hoboken: John Wiley & Sons, Inc.International journal of quantum chemistry 57(3), pp.465-470The results of semiempirical calculations on the heterofullerence C24N4 and its boron-nitrogen analogs B6N10C12 (the smallest CBN ball) are presented in accordance with considerations of chemical bondings and geometries. The structures and relative properties of the 28-atom cages, C28, C24N4, and B6N10C12, were investigated using semiempirical methods contained in the MOPAC program. C24N4 and B6N10C12 have Td and C3 symmetry, respectively. B6N10C12 has four geometric isomers, and their optimized structures were determined. The ionization energies, vibrational frequencies, ir intensities, and various thermodynamic properties (including entropy and heat capacity) for C24N4 and B6N10C12 were calculated by
3 84/1 化學系 王文竹 教授 期刊論文 發佈 A semiempirical study of C24N4 and its boron-nitrogen analogs , [84-1] :A semiempirical study of C24N4 and its boron-nitrogen analogs期刊論文A semiempirical study of C24N4 and its boron-nitrogen analogs王伯昌; Wang, Bo-cheng; 余良杰; Yu, Liang-jye; 王文竹; Wang, Wen-jwu淡江大學化學學系Hoboken: John Wiley & Sons, Inc.International journal of quantum chemistry 57(3), pp.465-470The results of semiempirical calculations on the heterofullerence C24N4 and its boron-nitrogen analogs B6N10C12 (the smallest CBN ball) are presented in accordance with considerations of chemical bondings and geometries. The structures and relative properties of the 28-atom cages, C28, C24N4, and B6N10C12, were investigated using semiempirical methods contained in the MOPAC program. C24N4 and B6N10C12 have Td and C3 symmetry, respectively. B6N10C12 has four geometric isomers, and their optimized structures were determined. The ionization energies, vibrational frequencies, ir intensities, and various thermodynamic properties (including entropy and heat capacity) for C24N4 and B6N10C12 were calculated by
4 84/1 化學系 余良杰 教授 期刊論文 發佈 C24N4及其硼氮取代之理論研究 , [84-1] :C24N4及其硼氮取代之理論研究期刊論文C24N4及其硼氮取代之理論研究A semiempirical study of C24N4 and its boron-nitrogen analogsWang, B. C.; 余良杰; Yu, L. J.; Wang, Wen-jwu淡江大學化學學系International journal of quantum chemistry 57(3), pp.465tku_id: 000047050;Submitted by 曉芬 游 (139570@mail.tku.edu.tw) on 2011-10-15T15:12:59Z No. of bitstreams: 0;Made available in DSpace on 2011-10-15T15:13:00Z (GMT). No. of bitstreams: 0en_US0020-7608國外否USA<links><record><name>機構典藏連結</name><url>http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/61519</url></record></links>
5 82/1 化學系 王文竹 教授 期刊論文 發佈 Calculations on Heterofullerenes: C24N4, C36N4 and C52N4 , [82-1] :Calculations on Heterofullerenes: C24N4, C36N4 and C52N4期刊論文Calculations on Heterofullerenes: C24N4, C36N4 and C52N4C24N4, C36N, C52N4之理論計算王伯昌; Wang, Bo-cheng; 余良杰; Yu, L. J.; 王文竹; Wang, Wen-jwu淡江大學化學學系Heterofullerenes;Fullerenes;C24N4, C36N4, C52N4臺北市:中國化學會中國化學會會誌40(6),頁497-502According to geometrical considerations, a method is devised to show a geometric relationship between the tetrahedron and the small heterofullerenes below C60: C24N4, C36N4 and C52N4 all of which belong to the Td point group. These simple geometric relationships also allow us to predict the possible structures of heterofullerenes consisting of more than sixty carbons with the Td symmetry. The number of hexagonal faces (besides the 12 pentagonal faces), vertices and edges of these heterofullerenes are obtained by applying Euler's theorem. Calculated by means of molecular mechanics MM2(87), the minimum energy structure, the bond lengths, the bond angles and the torsion angles for such heterofullerenes were generat
6 82/1 化學系 余良杰 教授 期刊論文 發佈 Calculations on Heterofullerenes: C24N4, C36N4 and C52N4 , [82-1] :Calculations on Heterofullerenes: C24N4, C36N4 and C52N4期刊論文Calculations on Heterofullerenes: C24N4, C36N4 and C52N4C24N4, C36N, C52N4之理論計算王伯昌; Wang, Bo-cheng; 余良杰; Yu, L. J.; 王文竹; Wang, Wen-jwu淡江大學化學學系Heterofullerenes;Fullerenes;C24N4, C36N4, C52N4臺北市:中國化學會中國化學會會誌40(6),頁497-502According to geometrical considerations, a method is devised to show a geometric relationship between the tetrahedron and the small heterofullerenes below C60: C24N4, C36N4 and C52N4 all of which belong to the Td point group. These simple geometric relationships also allow us to predict the possible structures of heterofullerenes consisting of more than sixty carbons with the Td symmetry. The number of hexagonal faces (besides the 12 pentagonal faces), vertices and edges of these heterofullerenes are obtained by applying Euler's theorem. Calculated by means of molecular mechanics MM2(87), the minimum energy structure, the bond lengths, the bond angles and the torsion angles for such heterofullerenes were generat
7 82/1 化學系 王伯昌 教授 期刊論文 發佈 Calculations on Heterofullerenes: C24N4, C36N4 and C52N4 , [82-1] :Calculations on Heterofullerenes: C24N4, C36N4 and C52N4期刊論文Calculations on Heterofullerenes: C24N4, C36N4 and C52N4C24N4, C36N, C52N4之理論計算王伯昌; Wang, Bo-cheng; 余良杰; Yu, L. J.; 王文竹; Wang, Wen-jwu淡江大學化學學系Heterofullerenes;Fullerenes;C24N4, C36N4, C52N4臺北市:中國化學會中國化學會會誌40(6),頁497-502According to geometrical considerations, a method is devised to show a geometric relationship between the tetrahedron and the small heterofullerenes below C60: C24N4, C36N4 and C52N4 all of which belong to the Td point group. These simple geometric relationships also allow us to predict the possible structures of heterofullerenes consisting of more than sixty carbons with the Td symmetry. The number of hexagonal faces (besides the 12 pentagonal faces), vertices and edges of these heterofullerenes are obtained by applying Euler's theorem. Calculated by means of molecular mechanics MM2(87), the minimum energy structure, the bond lengths, the bond angles and the torsion angles for such heterofullerenes were generat
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