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fix SI problems

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Pierre-Francois Loos 2022-05-25 14:33:13 +02:00
parent 93fbc5e32e
commit 2ed3ea43c2
3 changed files with 24 additions and 10 deletions
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21
Manuscript/CBD.bib
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@ -1,13 +1,15 @@
%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% https://bibdesk.sourceforge.io/
%% Created for Pierre-Francois Loos at 2022-04-11 13:38:06 +0200
%% Created for Pierre-Francois Loos at 2022-05-25 14:31:23 +0200
%% Saved with string encoding Unicode (UTF-8)
@article{Gulania_2021,
author = {Sahil, Gulania and Eirik, F. Kjønstad and John, F. Stanton and Henrik, Koch and Anna I. Krylov},
author = {Sahil, Gulania and Eirik, F. Kj{\o}nstad and John, F. Stanton and Henrik, Koch and Anna I. Krylov},
doi = {10.1063/5.0041822},
journal = {J. Chem. Phys.},
number = {11},
@ -27,7 +29,7 @@
volume = {155},
year = {2021},
bdsk-url-1 = {https://doi.org/10.1063/5.0064400}}
@article{Deustua_2021,
author = {J. Emiliano, Deustua and Jun, Shen and Piotr,Piecuch},
doi = {10.1063/5.0045468},
@ -37,21 +39,20 @@
title = {High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons},
volume = {154},
year = {2021},
bdsk-url-1 = {https://doi.org/10.1063/5.0045468}}
bdsk-url-1 = {https://doi.org/10.1063/5.0045468}}
@article{Ajala_2017,
author = {Adeayo, O. Ajala and Jun, Shen and Piotr, Piecuch},
date-modified = {2022-05-25 14:31:23 +0200},
doi = {10.1021/acs.jpca.6b11393},
journal = {J. Phys. Chem. A},
number = {18},
pages = {3469--3485},
title = {Economical Doubly Electron-Attached Equation-of-Motion Coupled- Cluster Methods with an Active-Space Treatment of Three-Particle− One-Hole and Four-Particle−Two-Hole Excitations},
title = {Economical Doubly Electron-Attached Equation-of-Motion Coupled- Cluster Methods with an Active-Space Treatment of Three-Particle-- One-Hole and Four-Particle--Two-Hole Excitations},
volume = {121},
year = {2017},
bdsk-url-1 = {https://doi.org/10.1021/acs.jpca.6b11393}}
@article{Kancherla_2019,
abstract = {In recent years, visible light-induced excited-state transition-metal (TM) (Mn, Co, Cu, and Pd) catalysis has attracted significant attention for the development of various chemical transformations. In contrast to metal/photoredox dual catalysis that uses conventional photosensitizers and TMs cooperatively, photoexcited-state TM catalysis uses a single TM complex as both the photocatalyst (PC) and the cross-coupling catalyst, resulting in more sustainable and efficient reactions. Unlike the outer-sphere mechanism active in conventional photocatalysis, these TM catalysts operate through a photoinduced inner-sphere mechanism in which the substrate--TM interaction is crucial for the bond-breaking or bond-forming steps, making this system an important advance in efficient carbon--carbon (C--C) bond formation reactions. Given the importance of these TM complexes as next-generation PCs with distinct mechanisms, in this review we highlight recent developments in photoexcited TM catalysis for C--C bond formation.},
author = {Rajesh Kancherla and Krishnamoorthy Muralirajan and Arunachalam Sagadevan and Magnus Rueping},
@ -3744,7 +3745,7 @@
journal = {J. Chem. Theory Comput.},
pages = {2418-2436},
title = {Assessing the Performances of {{CASPT2}} and {{NEVPT2}} for Vertical Excitation Energies,},
volume={18},
volume = {18},
year = {2022},
bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.1c01197}}

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Manuscript/CBD.tex
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@ -3,6 +3,7 @@
\usepackage[version=4]{mhchem}
\usepackage{natbib}
\bibliographystyle{achemso}
\usepackage[utf8]{inputenc}
\usepackage[T1]{fontenc}
\usepackage{txfonts}

12
Manuscript/sup-CBD.tex
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@ -1,6 +1,18 @@
\documentclass[aip,jcp,reprint,onecolumn,noshowkeys,superscriptaddress]{revtex4-1}
\usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,longtable,wrapfig,txfonts}
\usepackage[version=4]{mhchem}
\usepackage{natbib}
\bibliographystyle{achemso}
\setcounter{table}{0}
\setcounter{figure}{0}
\setcounter{page}{1}
\setcounter{equation}{0}
\renewcommand{\thepage}{S\arabic{page}}
\renewcommand{\thefigure}{S\arabic{figure}}
\renewcommand{\theequation}{S\arabic{equation}}
\renewcommand{\thetable}{S\arabic{table}}
\renewcommand{\thesection}{S\arabic{section}}
\usepackage[utf8]{inputenc}
\usepackage[T1]{fontenc}