Reduced dimensionality transition state theory with multi-dimensional tunnelling

<p>Full-dimensional quantum reactive scattering (QRS) calculations provide the most accurate dynamical results which include the rate constants for a chemical reaction. However, the computational costs involved in the calculations scale significantly with the size of the reacting system. Tr...

पूर्ण विवरण

ग्रंथसूची विवरण
मुख्य लेखक: Kwan, Y
अन्य लेखक: Shan, X
स्वरूप: थीसिस
प्रकाशित: 2016

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