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Nuclear quantum effect on the double proton transfer of the formamidine-formic acid complex:gas phas
[会议论文] 作者：Nawee Kungwan,Masanori Tachikawa,Yudai Ogata,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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Nuclear quantum effect on the double proton transfer of the formamidine-formic acid complex:gas phas
[会议论文] 作者：Nawee Kungwan,Yudai Ogata,Masanori Tachikawa,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
Double proton transfer in the formamidine-formic acid complex at room temperature has been investigated with ab initio path integral molecular dynamics(PIMD) simulations....
Hydrogen adsorption and dissociation mechanisms on Ni/Copromoted MoS2 catalysts for catalytic hydrot
[会议论文] 作者：Chanchai Sattayanon,Nawee Kungwan,Supawadee Namuangruk,Manaschai Kunaseth,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
Hydrogen dissociation on MoS-based catalysts is among the most important steps for hydrotreating processes such as hydrodesulfurization(HDS) and hydrodeoxygenation(HDO) reactions....
Effects of phenyl-attached substituents on the vibrational and electronic spectra of meso-tetrapheny
[会议论文] 作者：Chanisorn Ngaojampa,Nawee Kungwan,Supawadee Namuangruk,Yaowarat Surakhot,Siriporn Jungsuttiwong,Vinich,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
...
Effects of phenyl-attached substituents on the vibrational and electronic spectra of meso-tetrapheny
[会议论文] 作者：Chanisorn Ngaojampa,Supawadee Namuangruk,Yaowarat Surakhot,Vinich Promarak,Siriporn Jungsuttiwong,Nawee Kungwan,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The effects of substituents attached to phenyl groups of free base meso-tetraphenylporphyrin(H2TPP) on its geometrical structure,vibrational spectra and electronic spectra of H2TPP derivatives namely...
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