Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorizationviavalence bond theory and high-level computational approaches

Xin Shao; Michal Otyepka; Dana Nachtigallova; Hans Lischka

Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorizationviavalence bond theory and high-level computational approaches

Xin Shao, Michal Otyepka, Dana Nachtigallova, Hans Lischka

Chemistry and Biochemistry

Research output: Contribution to journal › Article › peer-review

Original language	English
Pages (from-to)	22003-22015
Journal	Physical Chemistry Chemical Physics
State	Published - 2020

Cite this

@article{ee3f757ba2994afaaffe09c5c127c416,

title = "Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorizationviavalence bond theory and high-level computational approaches",

author = "Xin Shao and Michal Otyepka and Dana Nachtigallova and Hans Lischka",

year = "2020",

language = "English",

pages = "22003--22015",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

}

Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorizationviavalence bond theory and high-level computational approaches. / Shao, Xin; Otyepka, Michal; Nachtigallova, Dana et al.

In: Physical Chemistry Chemical Physics, 2020, p. 22003-22015.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorizationviavalence bond theory and high-level computational approaches

AU - Shao, Xin

AU - Otyepka, Michal

AU - Nachtigallova, Dana

AU - Lischka, Hans

PY - 2020

Y1 - 2020

M3 - Article

SN - 1463-9076

SP - 22003

EP - 22015

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

ER -

Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorizationviavalence bond theory and high-level computational approaches

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