Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation
نویسندگان
چکیده
منابع مشابه
Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation.
The study of high-order absorption properties of molecules is a field of growing importance. Quantum-chemical studies can help design chromophores with desirable characteristics. Given that most experiments are performed in solution, it is important to devise a cost-effective strategy to include solvation effects in quantum-chemical studies of these properties. We here present an open-ended for...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2017
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c6cp06814f