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ELECTRONIC STRUCTURE THEORY GROUP
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Parametrized Files
QM/MM Tutorial
Thymine
Adenine
Uracil
Cytosine
Guanine
Basis Sets with
Extra Diffuse Functions
Carbon
aug-cc-pVDZ
aug-cc-pVTZ
aug-cc-pVQZ
Nitrogen
aug-cc-pVDZ
aug-cc-pVTZ
aug-cc-pVQZ
Oxygen
aug-cc-pVDZ
aug-cc-pVTZ
aug-cc-pVQZ
GC - Basepair
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