The configuration and quantum chemistry parameters of quinclorac esters such as,△E(E_(LUMO)-E_(HOMO)),heat of formation(HF),electrostatic charges of active point were cal- culated using quantum chemistry program.
利用量子化学程序计算了12个氯喹酸酯化合物的量子化学参数(如:最高占据轨道能级、最低空轨道能级、生成热、偶极矩、活性部位原子静电荷等),并对玉米根抑制活性进行了定量结构-活性相关(QSARs)分析,其中最低空轨道能级、羰基氧原子静电荷参数共同构建的多元高阶模型准确性最高(R=0。
The configuration and quantum chemistry parameters of quinclorac esters,such as ΔΕ(ELUMO-EHOMO),heat of formation(EHF),dipole moment,electrostatic charges of active point were calculated using quantum chemistry program.
利用量子化学程序计算了12个氯喹酸酯化合物的量子化学参数,如最高占据轨道能级、最低空轨道能级、生成热、偶极矩、活性部位原子静电荷等,并对玉米根抑制活性进行了定量结构-活性相关(QSARs)分析,其中最低空轨道能级、前线轨道能级差、偶极矩、原子静电荷4类参数共同构建的模型准确性最高(R=0。
8% haloxyfop-P-methyl, 5% quizalofop-P-ethyl and 5% quizalofop-P-tefuryl against Echinochloa crusgalli (L.
8%高效氟吡甲禾灵乳油、5%精喹禾灵乳油、5%喹禾糠酯乳油对马唐、稗草的药效。
The paper introduced the high performance liquid chromatography(HPLC) method using water and methyl cyanide as the mobile phase to analysis the total formulation of quizalofop-P-tefuryl by hypersil C18 chromatography column and variable wavelength UV detector.
采用高效液相色谱法对喹禾糠酯的总酯含量进行分析,流动相为乙腈-水(体积比为7︰3),使用Hypersil C18色谱柱和具有可变波长的紫外检测器。
