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Spring 2015
This thesis presents a thorough examination of the corrosion and fouling behaviour of crude oil at refining conditions on industrially applicable heat transfer surfaces. The depletion of light sweet crude oil reserves means that the processing of ever heavier and more sour crude oils is...
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Software Development for Integrating Molpro with Newton-X for Adiabatic and Non-adiabatic Excited State Dynamics
DownloadFall 2019
An interface between the non-adiabatic dynamics software Newton-X and the quantum chemistry software package Molpro has been created for select methods: second order local coupled cluster (LCC2), second order local algebraic diagrammatic construction (LADC(2)), and complete active space...