Electro-protonic wave function of CH3OH calculated by time-dependent multi-configuration wave function theory; Toward simulation of ultrafast hydrogen migration in hydrocarbon molecules

Electro-protonic wave function of CH3OH calculated by time-dependent multi-configuration wave function theory; Toward simulation of ultrafast hydrogen migration in hydrocarbon molecules
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利用时变多构型波函数理论计算CH3OH的电质子波函数;

DOI:
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发表时间:
2012
期刊:
影响因子:
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通讯作者:
T. Kato and K. Yamanouchi
T. Kato and K. Yamanouchi
中科院分区:
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文献类型:
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作者:
T. Kato;Y. Ide;and K. Yamanouchi;T. Kato and K. Yamanouchi

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