Browsing 医学院－已发表论文 by Author "Bai, Genben"－厦门大学学术典藏库－ Xiamen University Institutional Repository

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Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C 6H4OFe(CO)2(η5-C 5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5)

Zeng, Qi; Li, Zucheng; Han, Daxiong; Dong, Ling; Zhai, Huaqiang; Liu, Bin; Bai, Genben; Zhang, Yujie; 韩大雄 (WILEY-BLACKWELL, 2014 Febru)

The knowledge of accurate bond strengths is a fundamental basis for a proper analysis of chemical reaction mechanisms. Quantum chemical calculations at different levels of theory have been used to investigate heterolytic ...
Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)(2)(eta(5)-C5H5) and p-G-C6H4SFe(CO)(2)(eta(5)-C5H5)

Zeng, Qing; Li, Zucheng; Han, Daxiong; Dong, Ling; Zhai, Huaqiang; Liu, Bin; Bai, Genben; Zhang, Yujie; 韩大雄 (WILEY-BLACKWELL, 2014 FEB)

The knowledge of accurate bond strengths is a fundamental basis for a proper analysis of chemical reaction mechanisms. Quantum chemical calculations at different levels of theory have been used to investigate heterolytic ...
Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(5-C5H5) and p-G-C6H4SFe(CO)2(5-C5H5) studied using Hartree-Fock and density functional theory methods

Zeng, Qing; Li, Zucheng; Dong, Ling; Han, Daxiong; Wang, Rufeng; Li, Xiangri; Bai, Genben; 韩大雄 (WILEY-BLACKWELL, 2013)

Metal-ligand bond enthalpy data can afford invaluable insights into important reaction patterns in organometallic chemistry and catalysis. In this paper, the Fe-O and Fe-S homolytic bond dissociation energies [Hhomo(Fe-O)'s ...
Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(η5- C5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5) studied using Hartree-Fock and density functional theory methods

Zeng, Qi; Li, Zucheng; Dong, Ling; Han, Daxiong; Wang, Rufeng; Li, Xiangri; Bai, Genben; 韩大雄 (John Wiley and Sons Ltd, 2013 Augus)

Metal-ligand bond enthalpy data can afford invaluable insights into important reaction patterns in organometallic chemistry and catalysis. In this paper, the Fe-O and Fe-S homolytic bond dissociation energies [ΔH homo(Fe-O)'s ...

Browsing 医学院－已发表论文 by Author "Bai, Genben"

Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C 6H4OFe(CO)2(η5-C 5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5) ﻿

Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)(2)(eta(5)-C5H5) and p-G-C6H4SFe(CO)(2)(eta(5)-C5H5) ﻿

Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(5-C5H5) and p-G-C6H4SFe(CO)2(5-C5H5) studied using Hartree-Fock and density functional theory methods ﻿

Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(η5- C5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5) studied using Hartree-Fock and density functional theory methods ﻿

Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C 6H4OFe(CO)2(η5-C 5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5)

Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)(2)(eta(5)-C5H5) and p-G-C6H4SFe(CO)(2)(eta(5)-C5H5)

Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(5-C5H5) and p-G-C6H4SFe(CO)2(5-C5H5) studied using Hartree-Fock and density functional theory methods

Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(η5- C5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5) studied using Hartree-Fock and density functional theory methods