AM1 treatment of azacyclophanes

Lemi Turker

首页> 外文期刊>Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems >AM1 treatment of azacyclophanes

【24h】

AM1 treatment of azacyclophanes

机译：AM1治疗氮杂环烷

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

AM1 type semiempirical quantum chemical calculations on various mono and diazacyclophanes having 2,3 and 4 phane-bridges were carried out. The results were related to the Hamiltonicity or non-Hamiltonocity of the corresponding molecular graphs.

机译：对具有2,3和4 phane-bridge的各种单和二氮杂环烷进行AM1型半经验量子化学计算。结果与相应分子图的汉密尔顿性或非汉密尔顿性有关。

著录项

来源
《Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems》 |2002年第3期|共5页
作者
Lemi Turker;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类结构化学;
关键词
cyclophanes; heterocyclophanes; azacyclophanes; AM1 calculations; molecular orbital treatment;

机译：环烷;杂环环;氮杂环烷;AM1计算;分子轨道处理;

相似文献

外文文献
中文文献
专利

1. AM1 treatment of azacyclophanes [J] . Lemi Turker Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2002,第1a3期

机译：AM1治疗氮杂环烷
2. How many hydrogen molecules can be inserted into C-60? Comments on the paper 'AM1 treatment of endohedrally hydrogen doped fullerene, nH(2)@C-60' by L. Turker and S. Erkoc [J. Mol. Struct. (Theochem) 638 (2003) 37-40] [J] . Dolgonos G, Dolgonos G Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2005,第1a3期

机译：C-60可以插入多少个氢分子？ L. Turker和S. Erkoc对论文“ AM1处理内掺氢的富勒烯，nH（2）@ C-60”的评论[J.大声笑结构。（Theochem）638（2003）37-40]
3. AM1 treatment of some C_(56)H_8 type structures obtained from C_(60) [J] . Lemi Turker Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2004,第1a3期

机译：从C_（60）获得的某些C_（56）H_8型结构的AM1处理
4. Critical Hafnium Content for Extended Lifetime of AM1 Single Crystal Superalloy [C] . F. Pedraza, R. Troncy, A. Pasquet, International Symposium on Superalloys . 2020

机译：AM1单晶超合金延长寿命的关键铪含量
5. Semiempirical quantum chemistry: AM1 and PM3 parameterization of new atom types and small basis set density functional thermochemistry. [D] . Brothers, Edward N. 2004

机译：半经验量子化学：新原子类型和小基集密度泛函热化学的AM1和PM3参数化。
6. Metabolic engineering of Methylobacterium extorquens AM1 for the production of butadiene precursor [O] . Jing Yang, Chang-Tai Zhang, Xiao-Jie Yuan, 2018

机译：甲基芽胞杆菌AM1的代谢工程用于生产丁二烯前体
7. Quantum Chemical AM1 Treatment of the Circumscribing Algorithm: Fullerene Growth Mechanism [O] . Rama K. Mishra, Ying-ting Lin, Shyi-long Lee 1999

机译：量子化学am1处理循环算法：富勒烯生长机理

AM1 treatment of azacyclophanes

摘要

著录项

相似文献

相关主题

期刊订阅