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Notes on LaTeX symbols and usage.

Symbols I use the most

Text modification

Some of the frequently used symbols:
superscript - \textsuperscript{th}
subscript    - \textsubscript{s}
infinity       - \infty
dash            - the latex command is "---"
How to type single bond, double bond and triple bonds in LaTeX (for chemists)?
I found following is useful for Chemists.

https://www.overleaf.com/learn/latex/Chemistry_formulae


How to add multi-line comments in LaTeX?.

\iffalse
Comment text that you don't want to appear in paper.
\fi

Next question will appear here. 

next
anserComment 
will appear here.

See this page on Wikipedia 

Letters

 \alpha
 \beta
 \gamma
 \delta
 \epsilon
 \zeta
 \eta
 \theta
 \iota
 \kappa
 \lambda
 \mu
 \nu
 \xi
 \omicron
 \pi
 \rho
 \sigma
 \tau
 \upsilon
 \phi
 \chi
 \psi
 \omega
 \varepsilon
 \vartheta
 \varkappa
 \varpi
 \varrho
 \varphi
 \varsigma
 \Gamma
 \Delta
 \Theta
 \Lambda
 \Upsilon
 \Xi
 \Phi
 \Pi
 \Psi
 \Sigma
 \Omega
 \digamma
 \aleph
 \beth
 \gimel
 \daleth
 \forall
 \exists
 \nexists
 \Finv
 \Game
 \backepsilon
 \imath
 \jmath
 \ell
 \Bbbk
 \amalg
 \nabla
 \mho
 \partial
 \eth
 \hbar
 \hslash
 \Im
 \Re
 \wp
 \O
 \emptyset
 \varnothing
 \complement
 \circledS
 \acute{a}
 \hat{a}
 \ddot{a}
 \bar{a}
 \tilde{a}
 \grave{a}
 \check{a}
 \dot{a}
 \breve{a}
 \vec{a}
 \prime
 \backprime
 \P
 \S
 \AA
 \frac{abc}{def}
 \sqrt{abc}
 \sqrt[n]{abc}
 \overline{abc}
 \underline{abc}
 \overrightarrow{abc}
 \overleftarrow{abc}
 \overbrace{abc}
 \underbrace{abc}
 \widehat{abc}

Fonts

 \mathcal{A}
 \mathbb{A}
 \mathfrak{A}
 \mathsf{A}
 \mathbf{A}
 \textbf{A}

Common functions

 \sin
 \arcsin
 \sinh
 \cos
 \arccos
 \cosh
 \tan
 \arctan
 \tanh
 \cot
 \coth
 \sec
 \csc
 \exp
 \log
 \ln
 \lg
 \min
 \max
 \inf
 \sup
 \lim
 \liminf
 \limsup
 \arg
 \deg
 \det
 \dim
 \gcd
 \hom
 \ker
 \Pr

Big symbols

 \prod
 \bigcap
 \bigwedge
 \coprod
 \bigcup
 \bigvee
 \bigsqcup
 \sum
 \biguplus
 \bigoplus
 \bigotimes
 \bigodot
 \int
 \oint
 \iint
 \iiint
 \iiiint

Arrows

 \leftarrow
 \Leftarrow
 \leftharpoonup
 \leftharpoondown
 \leftleftarrows
 \rightarrow
 \Rightarrow
 \rightharpoonup
 \rightharpoondown
 \rightrightarrows
 \uparrow
 \Uparrow
 \upharpoonleft
 \upharpoonright
 \upuparrows
 \downarrow
 \Downarrow
 \downharpoonleft
 \downharpoonright
 \downdownarrows
 \longleftarrow
 \Longleftarrow
 \hookleftarrow
 \leftrightharpoons
 \leftrightarrows
 \Lleftarrow
 \Lsh
 \leftarrowtail
 \twoheadleftarrow
 \curvearrowleft
 \circlearrowleft
 \looparrowleft
 \longrightarrow
 \Longrightarrow
 \hookrightarrow
 \rightleftharpoons
 \rightleftarrows
 \Rrightarrow
 \Rsh
 \rightarrowtail
 \twoheadrightarrow
 \curvearrowright
 \circlearrowright
 \looparrowright
 \leftrightarrow
 \longleftrightarrow
 \updownarrow
 \nleftarrow
 \nrightarrow
 \nleftrightarrow
 \Leftrightarrow
 \Longleftrightarrow
 \Updownarrow
 \nLeftarrow
 \nRightarrow
 \nLeftrightarrow
 \mapsto
 \longmapsto
 \multimap
 \rightsquigarrow
 \leftrightsquigarrow
 \swarrow
 \searrow
 \nwarrow
 \nearrow

Order symbols

Some of the following symbols require \usepackage{amssymb} in the preamble
 <
 \leq
 \leqq
 \leqslant
 >
 \geq
 \geqq
 \geqslant
 \nless
 \nleq
 \lneq
 \nleqq
 \lneqq
 \lvertneqq
 \nleqslant
 \ngtr
 \ngeq
 \gneq
 \ngeqq
 \gneqq
 \gvertneqq
 \ngeqslant
 \vartriangleleft
 \trianglelefteq
 \lesssim
 \lessapprox
 \prec
 \preceq
 \precsim
 \precapprox
 \vartriangleright
 \trianglerighteq
 \gtrsim
 \gtrapprox
 \succ
 \succeq
 \succsim
 \succapprox
 \ntriangleleft
 \ntrianglelefteq
 \lnsim
 \lnapprox
 \nprec
 \npreceq
 \precnsim
 \precnapprox
 \ntriangleright
 \ntrianglerighteq
 \gnsim
 \gnapprox
 \nsucc
 \nsucceq
 \succnsim
 \succnapprox
 \eqslantless
 \lessgtr
 \lesseqgtr
 \lesseqqgtr
 \eqslantgtr
 \gtrless
 \gtreqless
 \gtreqqless
 \ll
 \lll
 \lessdot
 \preccurlyeq
 \curlyeqprec
 \gg
 \ggg
 \gtrdot
 \succcurlyeq
 \curlyeqsucc

Set symbols

 \subset
 \Subset
 \sqsubset
 \triangleleft
 \blacktriangleleft
 \supset
 \Supset
 \sqsupset
 \triangleright
 \blacktriangleright
 \cap
 \Cap
 \sqcap
 \vartriangle
 \blacktriangle
 \cup
 \Cup
 \sqcup
 \triangledown
 \blacktriangledown
 \in
 \subseteq
 \subseteqq
 \sqsubseteq
 \ni
 \supseteq
 \supseteqq
 \sqsupseteq
 \notin
 \nsubseteq
 \subsetneq
 \varsubsetneq
 \nsubseteqq
 \subsetneqq
 \varsubsetneqq
 \uplus
 \nsupseteq
 \supsetneq
 \varsupsetneq
 \nsupseteqq
 \supsetneqq
 \varsupsetneqq

Equality and inference

 =
 \neq
 \equiv
 \thickapprox
 \approx
 \approxeq
 \cong
 \ncong
 \sim
 \thicksim
 \nsim
 \simeq
 \backsim
 \backsimeq
 \eqsim
 \doteq
 \div
 \doteqdot
 \fallingdotseq
 \risingdotseq
 \triangleq
 \circeq
 \eqcirc
 \bumpeq
 \Bumpeq
 \asymp
 \mid
 \shortmid
 \vdash
 \dashv
 \Vdash
 \parallel
 \shortparallel
 \vDash
 \Vvdash
 \models
 \nmid
 \nshortmid
 \nvdash
 \nVdash
 \nparallel
 \nshortparallel
 \nvDash
 \nVDash

Brackets

 \lfloor
 \llcorner
 \rfloor
 \lrcorner
 \lceil
 \ulcorner
 \rceil
 \urcorner
 |
 \vert
 \|
 \Vert
 \{
 \}
 \langle
 \rangle
 /
 \backslash
 [
 ]
 (
 )

Other symbols

 \infty
 \propto
 \varpropto
 \bowtie
 \ltimes
 \rtimes
 \intercal
 \dotplus
 \times
 \wr
 \pitchfork
 \surd
 \setminus
 \diagdown
 \diagup
 \leftthreetimes
 \rightthreetimes
 \perp
 \between
 \asymp
 \angle
 \measuredangle
 \sphericalangle
 \bot
 \wedge
 \barwedge
 \doublebarwedge
 \therefore
 \top
 \vee
 \veebar
 \because
 \pm
 \curlywedge
 \smallfrown
 \frown
 \bigtriangleup
 \triangle
 \mp
 \curlyvee
 \smallsmile
 \smile
 \bigtriangledown
 \cdot
 \circ
 \bullet
 \centerdot
 \cdots
 \vdots
 \ldots
 \ddots
 \circledcirc
 \circleddash
 \circledast
 \bigcirc
 \divideontimes
 \odot
 \oplus
 \ominus
 \otimes
 \oslash
 \boxdot
 \boxplus
 \boxminus
 \boxtimes
 \Box
 \diamondsuit
 \clubsuit
 \heartsuit
 \spadesuit
 \lozenge
 \blacklozenge
 \square
 \blacksquare
 \diamond
 \Diamond
 \ast
 \star
 \bigstar
 \sharp
 \flat
 \natural
 \dagger
 \ddagger


Alphabets with special characters on it.

LaTeX commandSampleDescription
\`{o}ògrave accent
\'{o}óacute accent
\^{o}ôcircumflex
\"{o}öumlaut, trema or dieresis
\H{o}őlong Hungarian umlaut (double acute)
\~{o}õtilde
\c{c}çcedilla
\k{a}ąogonek
\l{}łbarred l (l with stroke)
\={o}ōmacron accent (a bar over the letter)
\b{o}obar under the letter
\.{o}ȯdot over the letter
\d{u}dot under the letter
\r{a}åring over the letter (for å there is also the special command \aa)
\u{o}ŏbreve over the letter
\v{s}šcaron/háček ("v") over the letter
\t{oo}o͡o"tie" (inverted u) over the two letters
\oøslashed o (o with stroke)


Install and use chemdataextractor

conda install -c chemdataextractor chemdataextractor
or
pip install ChemDataExtractor

(For more info, see this docs page.)

Use:

In the termial, type python and enter

>>> doc = Document('UV-vis spectrum of 5,10,15,20-Tetra(4-carboxyphenyl)porphyrin in Tetrahydrofuran (THF).')

>>> doc.cems

I get following error.

Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/home/lib/python2.7/site-packages/chemdataextractor/doc/document.py", line 355, in cems
    return list(set([n for el in self.elements for n in el.cems]))
  File "/home/lib/python2.7/site-packages/chemdataextractor/doc/text.py", line 213, in cems
    return [cem for sent in self.sentences for cem in sent.cems]
    raise ModelNotFoundError('Could not load %s. Have you run `cde data download`?' % path)
chemdataextractor.errors.ModelNotFoundError: Could not load models/punkt_chem-1.0.pickle. Have you run `cde data download`?

It seems that the chemdataextractor project is not updated for last 3 years. However, the authors publish new papers based on this package.

Also note that this package works with Python 3.6.0 version of python or earlier version. It throws bugs if you use with later version of python.


List of basis sets used in Quantum Chemistry and Condensed Matter Physics

The molecular orbitals or the crystal wave functions are expanded using following basis functions.

Slayter-type Orbitals (STO)
Gaussian-type orbitals (GTOs)
Numerical atomic functions
Finite elements (FEM)
Wavelets
Plane waves
Spherical waves

The GTOs and planes waves are widely used in many codes. The GTO originated from Gaussian code by John A Pople. Gaussian basis functions are the reason for the initial success in chemistry. Plane wave basis functions are widely used in condensed matter physics.

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