diff --git a/Manuscript/CBD.tex b/Manuscript/CBD.tex index 25e8ab9..6f66be5 100644 --- a/Manuscript/CBD.tex +++ b/Manuscript/CBD.tex @@ -292,7 +292,7 @@ Computational details are reported in Section \ref{sec:compmet} for SCI (Subsect Section \ref{sec:res} is devoted to the discussion of our results, first we consider the ground state property studied which is the AB (Subsection \ref{sec:auto}) and then we study the excited states (Subsection \ref{sec:states}) of the CBD molecule for both geometries. \begin{figure} - \includegraphics[width=0.6\linewidth]{figure1.pdf} + \includegraphics[width=0.8\linewidth]{figure1.pdf} \caption{Pictorial representation of the ground and excited states of CBD and its properties under investigation. The singlet ground-state (S) and triplet (T) properties are represented in black and red, respectively.} \label{fig:CBD} diff --git a/Manuscript/figure1.log b/Manuscript/figure1.log index 166748e..6a3e6b9 100644 --- a/Manuscript/figure1.log +++ b/Manuscript/figure1.log @@ -1,4 +1,4 @@ -This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020) (preloaded format=pdflatex 2020.10.4) 22 MAR 2022 09:53 +This is pdfTeX, Version 3.14159265-2.6-1.40.21 (TeX Live 2020) (preloaded format=pdflatex 2020.10.4) 23 MAR 2022 10:45 entering extended mode restricted \write18 enabled. %&-line parsing enabled. @@ -645,24 +645,26 @@ LaTeX Font Info: External font `cmex10' loaded for size (Font) <7> on input line 6. LaTeX Font Info: External font `cmex10' loaded for size (Font) <5> on input line 6. +LaTeX Font Info: External font `cmex10' loaded for size +(Font) <14.4> on input line 65. [1 {/usr/local/texlive/2020/texmf-var/fonts/map/pdftex/updmap/pdftex.map}] (./figure1.aux) ) Here is how much of TeX's memory you used: - 25269 strings out of 480608 - 677395 string characters out of 5903630 - 1032025 words of memory out of 5000000 - 40789 multiletter control sequences out of 15000+600000 - 533747 words of font info for 30 fonts, out of 8000000 for 9000 + 25296 strings out of 480608 + 677919 string characters out of 5903630 + 1033025 words of memory out of 5000000 + 40812 multiletter control sequences out of 15000+600000 + 535136 words of font info for 35 fonts, out of 8000000 for 9000 1141 hyphenation exceptions out of 8191 - 68i,7n,98p,703b,649s stack positions out of 5000i,500n,10000p,200000b,80000s + 68i,7n,98p,703b,651s stack positions out of 5000i,500n,10000p,200000b,80000s -Output written on figure1.pdf (1 page, 35294 bytes). +s/cm/cmmi10.pfb> +Output written on figure1.pdf (1 page, 35446 bytes). PDF statistics: 27 PDF objects out of 1000 (max. 8388607) 19 compressed objects within 1 object stream diff --git a/Manuscript/figure1.pdf b/Manuscript/figure1.pdf index c3a3e9d..9d57f17 100644 Binary files a/Manuscript/figure1.pdf and b/Manuscript/figure1.pdf differ diff --git a/Manuscript/figure1.synctex.gz b/Manuscript/figure1.synctex.gz index 4f8d778..e55cbc0 100644 Binary files a/Manuscript/figure1.synctex.gz and b/Manuscript/figure1.synctex.gz differ diff --git a/Manuscript/figure1.tex b/Manuscript/figure1.tex index 10ee1e7..7c22cae 100644 --- a/Manuscript/figure1.tex +++ b/Manuscript/figure1.tex @@ -46,12 +46,12 @@ %\draw [very thin,gray] (-3,-3) grid (3,3); %curves% - \draw[line width=1.5] plot[domain=-1.1*pi:1.1*pi,smooth] (\x,{1.5*cos(\x r)}); + \draw[line width=2.4] plot[domain=-1.1*pi:1.1*pi,smooth] (\x,{1.5*cos(\x r)}); \node[fill=none, text=black, circle, draw=black,line width=1.5] at (2.5,0) {S}; %\draw[line width=1.5,scale=0.7,domain=-3:3, smooth, variable=\x, red] plot ({\x}, {\x*\x +4.3});% - \draw[line width=1.5,red] plot[domain=-3.2:3.2,smooth] (\x,{0.65*\x*\x +3.5}) ; + \draw[line width=2.4,red] plot[domain=-3.2:3.2,smooth] (\x,{0.65*\x*\x +3.5}) ; \node[fill=none, text=red, circle, draw=red,line width=1.5] at (2.5,6) {T}; \node[fill=white,rotate=0,inner sep=-1.25pt,outer sep=0,anchor=center,text=red] at (2.62,8) {$\approx$}; @@ -62,25 +62,25 @@ %left% \draw (-2.5,-1.5) -- (-3.5,-1.5); - \node[] at (-4.1,-1.5) {$1{}^1$A$_{g}$}; + \node[] at (-4.3,-1.5) {\Large $1{}^1$A$_{g}$}; \draw[red] (-2.5,9.5) -- (-3.5,9.5); - \node[red] at (-4.1,9.5) {$1~^3$B$_{1g}$}; + \node[red] at (-4.3,9.5) {\Large $1~^3$B$_{1g}$}; %right% \draw (2.5,-1.5) -- (3.5,-1.5); - \node[] at (4.1,-1.5) {$1{}^1$A$_{g}$}; + \node[] at (4.3,-1.5) {\Large $1{}^1$A$_{g}$}; \draw[red] (2.5,9.5) -- (3.5,9.5); - \node[red] at (4.1,9.5) {$1~^3$B$_{1g}$}; + \node[red] at (4.3,9.5) {\Large $1~^3$B$_{1g}$}; %above% \draw (-0.5,1.5) -- (0.5,1.5); - \node[] at (1,1.4) {$1{}^1$B$_{1g}$}; + \node[] at (1.3,1.4) {\Large $1{}^1$B$_{1g}$}; \draw[red] (-0.5,3.5) -- (0.5,3.5); - \node[red] at (1.1,3.5) {$1~^3$A$_{2g}$}; + \node[red] at (1.3,3.5) {\Large $1~^3$A$_{2g}$}; %geometry% @@ -88,23 +88,28 @@ \draw[line width=1.5] (-3.4,-1.7) rectangle (-2.5,-2.4); \draw[line width=1.5] (-3.3,-1.8) -- (-3.3,-2.3); \draw[line width=1.5] (-2.6,-1.8) -- (-2.6,-2.3); - \node[] at (-3,-2.9) {D$_{2h}$}; + \node[] at (-3,-2.9) {\Large D$_{2h}$}; %right% \draw[line width=1.5] (2.7,-1.7) rectangle (3.4,-2.6); \draw[line width=1.5] (2.8,-1.8) -- (3.3,-1.8); \draw[line width=1.5] (2.8,-2.5) -- (3.3,-2.5); - \node[] at (3,-2.9) {D$_{2h}$}; + \node[] at (3,-2.9) {\Large D$_{2h}$}; %above% - \node[] at (0,0.1) {D$_{4h}$}; + \node[] at (0,0.1) {\Large D$_{4h}$}; \draw[line width=1.5] (-0.4,0.4) rectangle (0.4,1.2); \draw[dashed,line width=1.5] (0,0.8) circle (0.3cm); - \node[] at (0,0.1) {D$_{4h}$}; + \node[] at (0,0.1) {\Large D$_{4h}$}; \draw[red,line width=1.5] (-0.4,4) rectangle (0.4,4.8); \draw[dashed,red,line width=1.5] (0,4.4) circle (0.3cm); +%autoisomerization barrier arrow% + + \draw [line width=1.5,stealth-stealth](-3.0,-1.5) -- (-3.0,1.5); + \node[] at (-2.5,0.3) {\Large AB}; + \end{tikzpicture}