intermol相关论文
The steady-state fluorescence method has been tentatively used to determine the phase structures of microemulsion system......
The novel spirophosphoroheterocycle (C14H19N2OPS2, Mr = 326.40) was synthesized by the treatment of Lawesson磗 reagent w......
Hydrothermal Synthesis and Crystal Structure of a New Supramolecular Channel Framework Based on Cu C
A new compound [Cu(I)(phen)2]5[HV15O36(Cl)]0.65[H3V16O38(Cl)]0.352H2O 1 (phen = 1,10-phenanthroline) has been prepared f......
The title compound, [Cu2(C7H5O2)4(C2H6O)2], was synthesized by the reaction of benzoic acid, copper acetate and ethanol ......
以ａｂ ｉｎｉｔｉｏ ＨＦ／６－３１Ｇ＾＊计算求得ＮＨ３＋ＮＨ２ＮＯ２的两种优化构型，经ＭＰ４电子相关能校正和Ｂｏｙｓ－Ｂｅｍａｒｄｉ方案校正基组叠加误差求得精确的分子间相互作用能。还用ＰＭ３方法计算研究ＴＡＴＢ（均三氨基三......
在DFT-B3LYP/6-311＋＋G＊＊水平上求得1H-3-硝基-5-氨基-1，2，4-三唑（1H-ANTA）二聚体势能面上5种优化构型和电子结构．经基组叠加误差（BSSE）和零点......
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运用密度泛函理论在B3LYP／6-31G水平上求得高聚物粘结剂与硅烷偶联剂混合体系的4种优化构型，经零点振动能和基组叠加误差校正后求得......
