查詢結果分析
相關文獻
- 硝基胍分子內氫鍵之改良式INDO分子軌域法理論研究
- 硝基胍分子內氫鍵之改良式INDO分子軌域法理論研究
- Liquid Mixing and Mass Transfer in a Modified Bubble Column with Suspended Particles
- 超音波結石刮及改良式超音波結石刮在牙周病治療上的應用
- A Modified Multistart Method for Multimodal Optimization
- Timing of Shoulder Exercise after Modified Radical Mastectomy: A Prospective Study
- 水楊醛之構形異構物及分子內氫鍵之理論研究
- 日內瓦間歇機構可變運動性能曲線之設計研究
- 改良式遺傳基因演算法在降低配電系統饋線損失的研究
- 乳酸之構形異構物及分子內氫鍵之研究
頁籤選單縮合
題名 | 硝基胍分子內氫鍵之改良式INDO分子軌域法理論研究= |
---|---|
作者 | 張政維; 陳成; |
期刊 | 中正嶺學報 |
出版日期 | 19920700 |
卷期 | 21:1 1992.07[民81.07] |
頁次 | 頁57-63 |
分類號 | 341.244 |
語文 | chi |
關鍵詞 | INDO分子軌域法; 改良式; 氫鍵; 硝基胍分子; |
中文摘要 | 以區域化鍵能分析法及鍵分佈分析法計算分子內氫鍵之鍵能及鍵次。 以硝基脈分子為例,進行該分子內氫鍵鍵能,鍵次及電子雲密度分佈等計算。計 算結果成功印證文獻所載硝基脈分子內氫鍵之存在性與其電子雲密度分佈情 形,並對於該分子火藥安定性,建議大套以氫鍵鍵能、鍵次為重要影響因素的理 論解釋。本文首次提出分子內氫鍵鍵能、鍵次之合理而成功的計量方法。 |
英文摘要 | Using local bond energy analysis and bond population analysis methods to calculate theintramolecular hydrogen bond energy and bond order. Nitroguanidine is the example selected for the hydrogen hond energy, bond order and charge distribution analysis. The results of this work coincide well with the intramolecular hydrogen bonding and charge distribution which reported by reference works, these results also support the stability effectsof this explosive molecule which relate to the theoretical interpretation of its intramolecular hydrogen bonding and charge distribution analysis in these reference. The quantitativetreatment methods of intramolecular hydrogen bond energy and bond order are first timesuccessfully introduced by us in this work. |
本系統之摘要資訊系依該期刊論文摘要之資訊為主。