forked from PTEROSOR/QUESTDB
adding tab for radicals
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Data/QUESTDB.nb
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%% This BibTeX bibliography file was created using BibDesk.
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%% Created for Pierre-Francois Loos at 2020-11-19 11:36:40 +0100
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%% Created for Denis Jacquemin at 2020-11-20 15:32:53 +0100
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@article{Kannar_2017,
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author = {K{\'a}nn{\'a}r, D{\'a}niel and Tajti, Attila and Szalay, P{\'e}ter G.},
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date-added = {2020-11-20 15:16:30 +0100},
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date-modified = {2020-11-20 15:16:44 +0100},
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doi = {10.1021/acs.jctc.6b00875},
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eprint = {http://dx.doi.org/10.1021/acs.jctc.6b00875},
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journal = {J. Chem. Theory Comput.},
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number = {1},
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pages = {202--209},
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title = {Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets},
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url = {http://dx.doi.org/10.1021/acs.jctc.6b00875},
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volume = {13},
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year = {2017},
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Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b00875}}
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@article{Watson_2013,
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author = {Watson, Thomas J. and Lotrich, Victor F. and Szalay, Peter G. and Perera, Ajith and Bartlett, Rodney J.},
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date-added = {2020-11-20 15:15:46 +0100},
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date-modified = {2020-11-20 15:15:57 +0100},
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doi = {10.1021/jp308634q},
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eprint = {http://dx.doi.org/10.1021/jp308634q},
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journal = {J. Phys. Chem. A},
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number = {12},
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pages = {2569-2579},
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title = {Benchmarking for Perturbative Triple-Excitations in EE-EOM-CC Methods},
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url = {http://dx.doi.org/10.1021/jp308634q},
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volume = {117},
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year = {2013},
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Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp308634q}}
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@article{Jacquemin_2018,
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author = {Jacquemin, Denis},
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date-added = {2020-11-20 14:22:46 +0100},
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date-modified = {2020-11-20 14:22:59 +0100},
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journal = {J. Chem. Theory Comput.},
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pages = {1534--1543},
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title = {What is the Key for Accurate Absorption and Emission Calculations ? Energy or Geometry ?},
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volume = {14},
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year = {2018}}
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@article{Oruganti_2016,
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author = {Baswanth Oruganti and Changfeng Fang and Bo Durbeej},
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date-added = {2020-11-20 11:09:10 +0100},
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date-modified = {2020-11-20 11:15:29 +0100},
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doi = {10.1080/00268976.2016.1235736},
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eprint = {http://dx.doi.org/10.1080/00268976.2016.1235736},
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journal = {Mol. Phys.},
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number = {23},
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pages = {3448-3463},
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title = {Assessment of a Composite CC2/DFT Procedure for Calculating 0--0 Excitation Energies of Organic Molecules},
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url = {http://dx.doi.org/10.1080/00268976.2016.1235736},
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volume = {114},
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year = {2016},
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Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268976.2016.1235736}}
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@article{Jacquemin_2012,
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author = {Jacquemin , Denis and Planchat, Aur{\'e}lien and Adamo, Carlo and Mennucci, Benedetta},
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date-added = {2020-11-20 11:05:51 +0100},
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date-modified = {2020-11-20 11:05:57 +0100},
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journal = {J. Chem. Theory Comput.},
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pages = {2359--2372},
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title = {A TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes},
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volume = {8},
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year = {2012}}
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@article{Crespo_2018,
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author = {Crespo-Otero, Rachel and Barbatti, Mario},
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date-added = {2020-11-20 10:59:15 +0100},
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date-modified = {2020-11-20 10:59:30 +0100},
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doi = {10.1021/acs.chemrev.7b00577},
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eprint = {https://doi.org/10.1021/acs.chemrev.7b00577},
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journal = {Chem. Rev.},
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number = {15},
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pages = {7026--7068},
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title = {Recent Advances and Perspectives on Nonadiabatic Mixed Quantum--Classical Dynamics},
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url = {https://doi.org/10.1021/acs.chemrev.7b00577},
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volume = {118},
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year = {2018},
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.chemrev.7b00577}}
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@article{Svensson_1996a,
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@article{Svensson_1996a,
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author = {Svensson, Mats and Humbel, St{\'e}phane and Froese, Robert D. J. and Matsubara, Toshiaki and Sieber, Stefan and Morokuma, Keiji},
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author = {Svensson, Mats and Humbel, St{\'e}phane and Froese, Robert D. J. and Matsubara, Toshiaki and Sieber, Stefan and Morokuma, Keiji},
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date-added = {2020-11-19 11:33:34 +0100},
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date-added = {2020-11-19 11:33:34 +0100},
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@ -2538,7 +2619,7 @@
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title = {Many-Body Effective Energy Theory: Photoemission at Strong Correlation},
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title = {Many-Body Effective Energy Theory: Photoemission at Strong Correlation},
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volume = {15},
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volume = {15},
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year = {2019},
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year = {2019},
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00427}}
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00427}}
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@article{Dreuw_2005,
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@article{Dreuw_2005,
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