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[会议论文] 作者：Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Zhang Dongju,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Dongju Zhang,Chengbu Liu,
来源：第二届全国离子液体与绿色过程学术会议 年份：2011
In recent years,functionalized ionic liquids (ILs),which are designed and synthesized for carrying out specified task,have attracted great attention due to thei...
[会议论文] 作者：Likai Du,Jun Gao,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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Water-Dependent Reaction Pathways:essential for an minimal requisite element to mimic the function i
[会议论文] 作者：Likai Du,Jun Gao,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Wenhui Zhong,Dongju Zhang,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Ke Tang,Yongjun Liu,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Jun Gao,Dongju Zhang,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The anisotropic effects and short-range quantum effects are essential characters in the formation of halogen bond and pnicogen bond....
Charge-transfer excited states are below the bright ππ* States in aqueous B-DNA:A first-principle in
[会议论文] 作者：Huabing Yin,Yuchen Ma,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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Theoretical explanation for how SO3H-Functioned ionic liquids promote the conversion of cellulose to
[会议论文] 作者：Jingjing Li,Dongju Zhang,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
While the catalytic transformation of cellulose to glucose by functionalized ionic liquids(ILs)has been achieved successfully under mild conditions,the insi...
Theoretical Elucidation of the Mechanism and Kinetic Phenomena on the Esterification of Alpha-Tocoph
[会议论文] 作者：Yaru Jing,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
DFT calculations have been conducted to gain insight into the mechanism of the esterification of α-tocopheryl succinate catalyzed by histamine derivatives...
Mechanism of Two Successive N-methyl C-H Bond Activations on a Phosphine-Tethered N-Heterocyclic Car
[会议论文] 作者：Jing Yan,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
Recently the Cabeza group reported a unique successive N-methyl C–H bond activation on a phosphine-tethered N-heterocyclic triruthenium carbene complexes....
Mechanism of Two Successive N-methyl C-H Bond Activations on a Phosphine-Tethered N-Heterocyclic Car
[会议论文] 作者：Jing Yan,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
Recently the Cabeza group reported a unique successive N-methyl C–H bond activation on a phosphine-tethered N-heterocyclic triruthenium carbene complexes....
Theoretical Elucidation of the Mechanism and Kinetic Phenomena on the Esterification of Alpha-Tocoph
[会议论文] 作者：Yaru Jing,Chengbu Liu,Dongju Zhang,
来源：第十三届全国量子化学会议 年份：2017
DFT calculations have been conducted to gain insight into the mechanism of the esterification of α-tocopheryl succinate catalyzed by histamine derivatives or imidazolium-based ionic liquids,developed...
Theoretical explanation for how SO3H-Functioned ionic liquids promote the conversion of cellulose to
[会议论文] 作者：Jingjing Li,Dongju Zhang,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
While the catalytic transformation of cellulose to glucose by functionalized ionic liquids(ILs)has been achieved successfully under mild conditions,the insight into the fundamental molecular mechanism...
Charge-transfer excited states are below the bright ππ* States in aqueous B-DNA:A first-principle in
[会议论文] 作者：Huabing Yin,Yuchen Ma,Chengbu Liu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The excited states of adenine oligomers,(Ade)n,and adenine-thymine oligomers in BDNA conformation in both the gas phase and aqueous solution are studied by means of many-body Greens function theory(MB...
Water-Dependent Reaction Pathways:essential for an minimal requisite element to mimic the function i
[会议论文] 作者：Likai Du,Jun Gao,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
...
Theoretical Investigations on the Inclusion of TCDD with p-Cyclodextrin by Performing QM Calculation
[会议论文] 作者：Wenxiao Pan,Dongju Zhang,Jinhua Zhan,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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[会议论文] 作者：Qianqian Hou,Jinhu Wang,Yongjun Liu,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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Catalysis in Phenylethanolamine N-methyltransferase:A Theoretical Study by Performing QM/MM Calculat
[会议论文] 作者：Qianqian Hou,Jinhu Wang,Yongjun Liu,Chengbu Liu,
来源：第十一届全国量子化学会议 年份：2011
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