CHBC Faculty Publications

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TitleUA AuthorPublication NameYear
Efficient calculation of the density response function from generalized polarizabilitiesJanowski, TomaszTheoretical Chemistry Accounts2015
Efficient calculation of the density response function from generalized polarizabilitiesPulay, PeterTheoretical Chemistry Accounts2015
Accurate ranking of CH4·(H2O)20 clusters with the density functional theory supplemental potential approach.Wang, FengTheoretical Chemistry Accounts2013
A benchmark quantum chemical study of the stacking interaction between larger polycondensed aromatic hydrocarbonsJanowski, TomaszTheoretical Chemistry Accounts2011
A benchmark quantum chemical study of the stacking interaction between larger polycondensed aromatic hydrocarbonsPulay, PeterTheoretical Chemistry Accounts2011
A Festschrift in honor of Shigeru NagasePulay, PeterTheoretical Chemistry Accounts2011
The ring current in cyclopropaneBaker, JonTheoretical Chemistry Accounts2007
The unrestricted natural orbital-restricted active space method: methodology and implementationKozlowski, Pawel M.Theoretical Chemistry Accounts1998
The unrestricted natural orbital-restricted active space method: methodology and implementationPulay, PeterTheoretical Chemistry Accounts1998
The inner-hydrogen migration in free base porphyrinBaker, JonTheoretical Chemistry Accounts1997
The inner-hydrogen migration in free base porphyrinJarzecki, Andrzej ArkadiuszTheoretical Chemistry Accounts1997
The inner-hydrogen migration in free base porphyrinKozlowski, Pawel M.Theoretical Chemistry Accounts1997
The inner-hydrogen migration in free base porphyrinPulay, PeterTheoretical Chemistry Accounts1997