vs140580

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These are questions asked by vs140580

Convert a table in a form 

output≔table([(2,4)=["O-H",0.97234632],(1,2)=["O-O",1.44940000],(1,3)=["O-H",0.97232285]])

Table can have more elements in a similar form at (1,2) and (2,1) position 

In the new matrix converted

We should get a square matrix

With at (2,4) and (4,2) position 

0.97234632

Similarly at (1,2) and (2,1) position 1.44940000

And so on 

Remember a square matrix and it is symmetric 

Fix a plot output image size to a certain big size instead of going to each plot and then trying to maginify it where output runs through pages.

How to insert pagebreak using code itself where I want as i run code 

As if I get more lines of output difficut to run through output give ctrl+Enter each place later 

Kind help

Considered a list of this type 

L:=[["O",3.85090000,0.45160000,0.00120000],
["O",−2.59990000,1.40410000,−0.00180000],
["N",−1.57050000,−0.71710000,0.00010000],
["C",−0.20660000,−0.42310000,−0.00020000],
["C",0.22050000,0.90470000,0.00040000],
["C",0.72980000,−1.45700000,−0.00070000],
["C",1.58410000,1.19860000,0.00020000],
["C",2.09330000,−1.16290000,−0.00070000],
["C",2.52040000,0.16480000,−0.00030000],
["C",−2.64850000,0.17820000,0.00090000],
["C",−3.97350000,−0.54200000,0.00100000],
["H",−0.44360000,1.75770000,0.00120000],
["H",0.41130000,−2.49630000,−0.00100000],
["H",−1.80100000,−1.70860000,0.00010000],
["H",1.90530000,2.23700000,0.00090000],
["H",2.81800000,−1.97260000,−0.00080000],
["H",−4.06550000,−1.14630000,−0.90580000],
["H",−4.79040000,0.18440000,0.02880000],
["H",−4.04450000,−1.18860000,0.88020000],
["H",3.96500000,1.41760000,0.00170000]];

Find out the indexs of the list within the list where "H" is their and to store is set S.

Here we can say 12th list have "H"

Similarly 13th list has "H" and so on

So it will output a set

{11,12,13,...}

A function which takes a list like above as input and outputs the set which give index positions of lists containing "H"

Is their anyway in by which given a molecule I can code to get the hydrogen depleted form of the molecule using Maplesoft quantum chemistry toolbox

After hydrogen depleted get the BondDistances table of that depleted molecule structure

 

 

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