【摘 要】
：
The conversion process from bicyclo[4.1.0]heptatriene (BCT) to 1,2,4,6-cycloheptate- traene (CHTE) within a molecular container was studied with AM1 method, and
【出 处】
：
Chinese Chemical Letters
论文部分内容阅读
The conversion process from bicyclo[4.1.0]heptatriene (BCT) to 1,2,4,6-cycloheptate- traene (CHTE) within a molecular container was studied with AM1 method, and single point energies for all stationary points were evaluated by B3LYP and HF methods. The conversion potential barrier for the encapsulation complex became smooth when compared with that for the rearrangement in free state. The influences of the inner phase of the molecular container on the conversion process were discussed.
The conversion process from bicyclo [4.1.0] heptatriene (BCT) to 1,2,4,6-cycloheptate-trane (CHTE) within a molecular container was studied with AM1 method, and single point energies for all stationary points were evaluated by B3LYP and HF methods. The conversion potential barrier for the encapsulation complex became smooth when compared with that for the rearrangement in free state. The influences of the inner phase of the molecular container on the conversion process were discussed.
其他文献
张某，男，13岁，学生。于12天前玩雷管引起爆炸，左眼视物不见，于1993年11月8日住院。检查，全身多处伤口已缝合。右眼视力1．0；左眼光感／30cm，光定位及红绿色觉可。上下眼睑中段各有0．5cm伤
加强互利合作,推动区域合作已成为世界经济发展的大趋势。在这里举办中国-东盟博览会的南宁国际会展中心。环北部湾地处中国-东盟自由贸易区的中心位置,区域内各方经济社会发
目的:评价我院抗高血压药利用情况及趋势。方法:对我院2006年1月-2008年12月抗高血压药应用品种、销售金额、用药频度(DDDs)进行统计、分析。结果:抗高血压药销售金额逐年上
民族高校戏剧影视专业声乐课是一门技术性较强的专业课程,全国无统一的教材,由任课教师自行编排教程。对比,就需要通过教学过程中有效的施教探索,使学生在两年的学习时间内能
在钢琴艺术史上,福雷的成就和贡献比他的师辈弗朗克和圣桑更大,他在风格上起了承前启后的作用,是连接浪漫主义和印象主义的重要人物。福雷的船歌是他钢琴创作的核心,这首作品
3月22日,春雨连绵,株洲与湘潭交界处霞湾换乘站人头攒动,一辆株洲15路公交车抵达换乘站,乘客们下车冒雨跑步换乘湘潭的21路公交车。虽然这两路公交车相距不过数十米,但来往于
我们应用Seldinger导引钢丝（简称：导丝），经环甲股逆牵拉的方法，顺利完成了10例困难型气管内插管，报告如下。1临床资料1．三一般情况男7例，女3例；年龄41～68岁。择期手术，ASAE～IV级、均为麻
１９９５年９月我院所在地因一长途公共汽车内桶装硫酸二甲酯泄露致使４１人中毒，经数家医院积极抢救，全部脱离危险并痊愈出院。现报告如下：一般情况：４１人中男乘客２７人，女乘客１２人，司机、售票员各１人；其中
患者男，55岁，自幼觉右眼角膜后有小片状混浊物，视力未见下降，随年龄增长，混浊物增大，视力仍无明显下降。于10前无明显下降。于10年前自觉视力下降，视物不清，无限痛、头痛、恶心呕吐复
AISn8Pb2Si25Cu0.8Cr0.2(ASP) is a new bush material with high performance, but its bad plasticity limits itsapplication. By studying the effect of silicon conten