Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution.

Autor: Zuehlsdorff, T. J., Isborn, C. M.

Publikováno v: Journal of Chemical Physics; 2018, Vol. 148 Issue 2, p1-N.PAG, 16p, 3 Diagrams, 1 Chart, 5 Graphs

Erratum: “Combining the ensemble and Franck-Condon approaches for calculating spectral shapes of molecules in solution” [J. Chem. Phys. 148, 024110 (2018)].

Autor: Zuehlsdorff, T. J., Isborn, C. M.

Publikováno v: Journal of Chemical Physics; 2018, Vol. 148 Issue 7, p1-1, 1p, 1 Graph

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Simulating Nuclear and Electronic Quantum Effects in Enzymes.

Autor: Wang L; Rutgers University, Piscataway, NJ, United States., Isborn CM; School of Natural Sciences, University of California, Merced, CA, United States., Markland TE; Stanford University, Stanford, CA, United States. Electronic address: tmarkland@stanford.edu.

Publikováno v: Methods in enzymology [Methods Enzymol] 2016; Vol. 577, pp. 389-418. Date of Electronic Publication: 2016 Jul 15.