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- 33Mass-spectrometry
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Spring 2016
Remarkable progress has been made in terms of developing gold nanoparticle (AuNP) based colorimetric systems for biodiagnostics. There are two general strategies: the target analyte triggers assembly leading to a color change from red solution to blue precipitated AuNPs; the target analyte...
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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...
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