COMPUTER SIMULATIONS OF MOLECULAR PROPELLERS
COMPUTER SIMULATIONS OF MOLECULAR PROPELLERS
批准号:
6220348
负责人:
JAROSLAV VACEK
金额:
$0.03万
依托单位国家:
美国
项目类别:
财政年份:
1999
资助国家:
美国
项目状态:
已结题
起止时间:
1999-07-01 至 2000-06-30
中文摘要
我们项目的目的是调查一些人的行为
安装在组装的分子格栅上的螺旋桨形可旋转基团
类似连接器的子系统。使用了分子动力学模拟
来研究这些系统。看起来这些分子推进器或
涡轮机在旋转的电场和稀有的气流中旋转
汽油。使用CGL分子图形来可视化结构和
他们的动议。
英文摘要
The aim of our project is to investigate the behavior of some
propeller shaped rotable groups mounted on a molecular grid assembled
of connector-like subsystems. Molecular dynamics simulations are used
to study these systems. It appears that these molecular propellers or
turbines do rotate in rotating electric field and in the flow of rare
gas. CGL molecular graphics is used to visualize the structures and
their motion.
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BINDING FREE ENERGIES & EXTRACTION SELECTIVITY CALCULATIONS
-
批准号:6456814
-
项目类别:
-
资助金额:$27.32万
-
财政年份:2001
-
负责人:JAROSLAV VACEK
-
依托单位:
COMPUTER SIMULATIONS OF MOLECULAR PROPELLERS
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批准号:6456816
-
项目类别:
-
资助金额:$27.32万
-
财政年份:2001
-
负责人:JAROSLAV VACEK
-
依托单位:
CALCULATION OF SOLVATION FREE ENERGIES OF AMINES
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批准号:6456815
-
项目类别:
-
资助金额:$27.32万
-
财政年份:2001
-
负责人:JAROSLAV VACEK
-
依托单位:
CALCULATION OF SOLVATION FREE ENERGIES OF AMINES
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批准号:6347977
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项目类别:
-
资助金额:$0.05万
-
财政年份:2000
-
负责人:JAROSLAV VACEK
-
依托单位:
COMPUTER SIMULATIONS OF MOLECULAR PROPELLERS
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批准号:6347978
-
项目类别:
-
资助金额:$0.03万
-
财政年份:2000
-
负责人:JAROSLAV VACEK
-
依托单位:
BINDING FREE ENERGIES & EXTRACTION SELECTIVITY CALCULATIONS
-
批准号:6347976
-
项目类别:
-
资助金额:$0.08万
-
财政年份:2000
-
负责人:JAROSLAV VACEK
-
依托单位:
BINDING FREE ENERGIES & EXTRACTION SELECTIVITY CALCULATIONS
-
批准号:6119272
-
项目类别:
-
资助金额:$0.54万
-
财政年份:1999
-
负责人:JAROSLAV VACEK
-
依托单位:
CALCULATION OF SOLVATION FREE ENERGIES OF AMINES
-
批准号:6220347
-
项目类别:
-
资助金额:$0.05万
-
财政年份:1999
-
负责人:JAROSLAV VACEK
-
依托单位:
BINDING FREE ENERGIES & EXTRACTION SELECTIVITY CALCULATIONS
-
批准号:6220346
-
项目类别:
-
资助金额:$0.08万
-
财政年份:1999
-
负责人:JAROSLAV VACEK
-
依托单位:
CALCULATION OF SOLVATION FREE ENERGIES OF AMINES
-
批准号:6119273
-
项目类别:
-
资助金额:$0.54万
-
财政年份:1999
-
负责人:JAROSLAV VACEK
-
依托单位:
CALCULATION OF SOLVATION FREE ENERGIES OF AMINES
-
批准号:6280294
-
项目类别:
-
资助金额:$0.0万
-
财政年份:1998
-
负责人:JAROSLAV VACEK
-
依托单位:
BINDING FREE ENERGIES & EXTRACTION SELECTIVITY CALCULATIONS
-
批准号:6280293
-
项目类别:
-
资助金额:$1.04万
-
财政年份:1998
-
负责人:JAROSLAV VACEK
-
依托单位:
海外基金