Theoretical investigation on tautomerism of amrinone;
氨力农互变异构的理论研究
Density functional theory calculations on tautomerism of 2-pyrimidinones;
2-嘧啶酮互变异构的密度泛函理论计算
A Study on Novel Fluorescent Probe Containing Rhodamine Structure (Ⅰ)——Tautomerism and Spectroscopic Characteristics;
新型罗丹明类荧光标记探针的研究(Ⅰ)-氨基标记产物的质子化互变异构
Theoretical investigation on conformational isomerization and tautomerization of 4-phenyl-2-thiopyrimidine;
4-苯基嘧啶-2-硫酮互变异构的理论研究
Synthesis of 1-benzotriazolacetyl-5-hydroxy 2-pyrazolines and study on their tautomers;
1-苯并三唑乙酰基-5-羟基吡唑啉的合成及其互变异构的研究
Molecular structures of 5-formyl-1,2,3-triazoles tautomers were calculated by the B3LYP method at the 6-311++G level both in the gaseous and aqueous phases with full geometry optimization.
用密度泛函B3LYP/6-311++G**方法,对气相和水相中的5-醛基-1,2,3-三唑互变异构体进行了几何构型全自由度优化,获得了它们在气相和水相中的几何结构和电子结构。