Modeling of One-dimensional Quantum Hydrogen by Path Integral Formalism
Modeling of One-dimensional Quantum Hydrogen by Path Integral Formalism
批准号:
23651095
负责人:
TANAKA Hideki
金额:
$1.5万
依托单位:
依托单位国家:
日本
项目类别:
Grant-in-Aid for Challenging Exploratory Research
财政年份:
2011
资助国家:
日本
项目状态:
已结题
起止时间:
2011 至 --
中文摘要
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英文摘要
One-dimensional system of confined H2 and D2 in the porous coordination polymer([Ca(C4O4)(H2O)] n)(PCP 1) was investigated by the powder X-ray structural analysis with synchrotron radiation(SPring8, BL02B2 beamline), low temperature adsorption measurement, and molecular simulation based on the Feynman path integral formalism. Quantum effects due to the uncertainty of the position of a confined molecule were successfully observed for the one-dimensional system of confined H2 and D2 in PCP 1.
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ゼオライト鋳型炭素の分子モデリングおよび吸着挙動シミュレーション
沸石模板碳的分子建模及吸附行为模拟
DOI:
--
发表时间:
2011
期刊:
影响因子:
--
作者:
[田中秀樹, 真木晶, 西原洋知, 山本健太郎, 京谷隆, 宮原稔]
通讯作者:
宮原稔
Modeling Capillary Condensation in Mesoporous Silica with Surface Roughness
用表面粗糙度模拟介孔二氧化硅中的毛细管冷凝
DOI:
--
发表时间:
2011
期刊:
影响因子:
--
作者:
[H. Tanaka, N. Nishiyama, T. Nishino and M. T. Miyahara]
通讯作者:
T. Nishino and M. T. Miyahara
分子シミュレーションによるゼオライト鋳型炭素の合成とその応用可能性
分子模拟合成沸石模板碳及其应用可能性
DOI:
--
发表时间:
2011
期刊:
影响因子:
--
作者:
[田中秀樹, 真木晶, 中村和彦, 西原洋知, 山本健太郎, 京谷隆, 宮原稔]
通讯作者:
宮原稔
「炭素物質とナノカーボンが形成する表面と空間の化学」(分担執筆),「炭素学」
“碳材料和纳米碳形成的表面和空间的化学”(合著者),“碳学”
DOI:
--
发表时间:
2011
期刊:
影响因子:
--
作者:
[服部義之, 田中秀樹, 田中一義, 東原秀和, 篠原久典]
通讯作者:
篠原久典
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