forked from PTEROSOR/QUESTDB
adding tab for radicals
This commit is contained in:
parent
efb6374584
commit
edc2bb6e39
Binary file not shown.
17066
Data/QUESTDB.nb
17066
Data/QUESTDB.nb
File diff suppressed because it is too large
Load Diff
@ -1,13 +1,94 @@
|
|||||||
%% This BibTeX bibliography file was created using BibDesk.
|
%% This BibTeX bibliography file was created using BibDesk.
|
||||||
%% http://bibdesk.sourceforge.net/
|
%% http://bibdesk.sourceforge.net/
|
||||||
|
|
||||||
%% Created for Pierre-Francois Loos at 2020-11-19 11:36:40 +0100
|
|
||||||
|
%% Created for Denis Jacquemin at 2020-11-20 15:32:53 +0100
|
||||||
|
|
||||||
|
|
||||||
%% Saved with string encoding Unicode (UTF-8)
|
%% Saved with string encoding Unicode (UTF-8)
|
||||||
|
|
||||||
|
|
||||||
|
|
||||||
|
@article{Kannar_2017,
|
||||||
|
author = {K{\'a}nn{\'a}r, D{\'a}niel and Tajti, Attila and Szalay, P{\'e}ter G.},
|
||||||
|
date-added = {2020-11-20 15:16:30 +0100},
|
||||||
|
date-modified = {2020-11-20 15:16:44 +0100},
|
||||||
|
doi = {10.1021/acs.jctc.6b00875},
|
||||||
|
eprint = {http://dx.doi.org/10.1021/acs.jctc.6b00875},
|
||||||
|
journal = {J. Chem. Theory Comput.},
|
||||||
|
number = {1},
|
||||||
|
pages = {202--209},
|
||||||
|
title = {Accuracy of Coupled Cluster Excitation Energies in Diffuse Basis Sets},
|
||||||
|
url = {http://dx.doi.org/10.1021/acs.jctc.6b00875},
|
||||||
|
volume = {13},
|
||||||
|
year = {2017},
|
||||||
|
Bdsk-Url-1 = {http://dx.doi.org/10.1021/acs.jctc.6b00875}}
|
||||||
|
|
||||||
|
@article{Watson_2013,
|
||||||
|
author = {Watson, Thomas J. and Lotrich, Victor F. and Szalay, Peter G. and Perera, Ajith and Bartlett, Rodney J.},
|
||||||
|
date-added = {2020-11-20 15:15:46 +0100},
|
||||||
|
date-modified = {2020-11-20 15:15:57 +0100},
|
||||||
|
doi = {10.1021/jp308634q},
|
||||||
|
eprint = {http://dx.doi.org/10.1021/jp308634q},
|
||||||
|
journal = {J. Phys. Chem. A},
|
||||||
|
number = {12},
|
||||||
|
pages = {2569-2579},
|
||||||
|
title = {Benchmarking for Perturbative Triple-Excitations in EE-EOM-CC Methods},
|
||||||
|
url = {http://dx.doi.org/10.1021/jp308634q},
|
||||||
|
volume = {117},
|
||||||
|
year = {2013},
|
||||||
|
Bdsk-Url-1 = {http://dx.doi.org/10.1021/jp308634q}}
|
||||||
|
|
||||||
|
@article{Jacquemin_2018,
|
||||||
|
author = {Jacquemin, Denis},
|
||||||
|
date-added = {2020-11-20 14:22:46 +0100},
|
||||||
|
date-modified = {2020-11-20 14:22:59 +0100},
|
||||||
|
journal = {J. Chem. Theory Comput.},
|
||||||
|
pages = {1534--1543},
|
||||||
|
title = {What is the Key for Accurate Absorption and Emission Calculations ? Energy or Geometry ?},
|
||||||
|
volume = {14},
|
||||||
|
year = {2018}}
|
||||||
|
|
||||||
|
@article{Oruganti_2016,
|
||||||
|
author = {Baswanth Oruganti and Changfeng Fang and Bo Durbeej},
|
||||||
|
date-added = {2020-11-20 11:09:10 +0100},
|
||||||
|
date-modified = {2020-11-20 11:15:29 +0100},
|
||||||
|
doi = {10.1080/00268976.2016.1235736},
|
||||||
|
eprint = {http://dx.doi.org/10.1080/00268976.2016.1235736},
|
||||||
|
journal = {Mol. Phys.},
|
||||||
|
number = {23},
|
||||||
|
pages = {3448-3463},
|
||||||
|
title = {Assessment of a Composite CC2/DFT Procedure for Calculating 0--0 Excitation Energies of Organic Molecules},
|
||||||
|
url = {http://dx.doi.org/10.1080/00268976.2016.1235736},
|
||||||
|
volume = {114},
|
||||||
|
year = {2016},
|
||||||
|
Bdsk-Url-1 = {http://dx.doi.org/10.1080/00268976.2016.1235736}}
|
||||||
|
|
||||||
|
@article{Jacquemin_2012,
|
||||||
|
author = {Jacquemin , Denis and Planchat, Aur{\'e}lien and Adamo, Carlo and Mennucci, Benedetta},
|
||||||
|
date-added = {2020-11-20 11:05:51 +0100},
|
||||||
|
date-modified = {2020-11-20 11:05:57 +0100},
|
||||||
|
journal = {J. Chem. Theory Comput.},
|
||||||
|
pages = {2359--2372},
|
||||||
|
title = {A TD-DFT Assessment of Functionals for Optical 0-0 Transitions in Solvated Dyes},
|
||||||
|
volume = {8},
|
||||||
|
year = {2012}}
|
||||||
|
|
||||||
|
@article{Crespo_2018,
|
||||||
|
author = {Crespo-Otero, Rachel and Barbatti, Mario},
|
||||||
|
date-added = {2020-11-20 10:59:15 +0100},
|
||||||
|
date-modified = {2020-11-20 10:59:30 +0100},
|
||||||
|
doi = {10.1021/acs.chemrev.7b00577},
|
||||||
|
eprint = {https://doi.org/10.1021/acs.chemrev.7b00577},
|
||||||
|
journal = {Chem. Rev.},
|
||||||
|
number = {15},
|
||||||
|
pages = {7026--7068},
|
||||||
|
title = {Recent Advances and Perspectives on Nonadiabatic Mixed Quantum--Classical Dynamics},
|
||||||
|
url = {https://doi.org/10.1021/acs.chemrev.7b00577},
|
||||||
|
volume = {118},
|
||||||
|
year = {2018},
|
||||||
|
Bdsk-Url-1 = {https://doi.org/10.1021/acs.chemrev.7b00577}}
|
||||||
|
|
||||||
@article{Svensson_1996a,
|
@article{Svensson_1996a,
|
||||||
author = {Svensson, Mats and Humbel, St{\'e}phane and Froese, Robert D. J. and Matsubara, Toshiaki and Sieber, Stefan and Morokuma, Keiji},
|
author = {Svensson, Mats and Humbel, St{\'e}phane and Froese, Robert D. J. and Matsubara, Toshiaki and Sieber, Stefan and Morokuma, Keiji},
|
||||||
date-added = {2020-11-19 11:33:34 +0100},
|
date-added = {2020-11-19 11:33:34 +0100},
|
||||||
@ -2538,7 +2619,7 @@
|
|||||||
title = {Many-Body Effective Energy Theory: Photoemission at Strong Correlation},
|
title = {Many-Body Effective Energy Theory: Photoemission at Strong Correlation},
|
||||||
volume = {15},
|
volume = {15},
|
||||||
year = {2019},
|
year = {2019},
|
||||||
Bdsk-File-1 = {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},
|
Bdsk-File-1 = {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},
|
||||||
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00427}}
|
Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.9b00427}}
|
||||||
|
|
||||||
@article{Dreuw_2005,
|
@article{Dreuw_2005,
|
||||||
|
File diff suppressed because it is too large
Load Diff
Loading…
Reference in New Issue
Block a user