anti-configuration

The result shows that MP2, QCISD, B3LYP can gain the gauche and anti conformers of oxalyl iodide, which is in good agreement with configuration of oxalyl halides in experiment.

结果表明,在不同基组水平上,由MP2,QCISD,B3LYP方法均能得到草酰碘分子的交叉式构型和平面反式构型,与实验所得草酰卤化物的构型完全相符。

Peptidyl-prolyl cis/trans isomerization is of considerable biological significance and prolyl residue plays an important role in the final structure of proteins.

25nm,同一性(identity)<30％的2401条肽链中计算提取了全部顺式与反式脯氨酸肽键的位置,数目分别为1221个与26401个,从而建立了一个较大规模的脯氨酸肽键数据集。

Results show that the deodorization temperature and time have little effect on the content of trans-oleic acid in the soybean oil.

结果表明:脱臭温度和脱臭时间对大豆油中反式油酸含量的影响很小;脱臭温度对大豆油中反式亚油酸含量影响显著,脱臭时间对其影响的显著性次之;脱臭温度对每一指定的脱臭时间条件下,大豆油中总反式脂肪酸含量最多约为最少的90~100倍,在250℃以下大豆油中总反式脂肪酸的形成速度缓慢、相对含量低;脱臭时间对每一指定脱臭温度条件下,大豆油中总反式脂肪酸含量最多约为最少的2。