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MOLCALC.ORG

Molecule Calculator (MolCalc)

Is an application that allows anyone to build small molecules and estimate molecular properties such as structure, heat of formation, thermo dynamic properties, vibrational frequencies, molecular orbitals, dipole moment, and solvation surface. Search for molecule structure. Start from Water Dimer. Optimize structure using MMFF forcefield. Turn off atom manipulation. Remove selected atom from stucture. Increase charge of selected atom. Decrease charge of selected atom. Turn off bond editing.

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Molecule Calculator (MolCalc) | molcalc.org Reviews
<META>
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Is an application that allows anyone to build small molecules and estimate molecular properties such as structure, heat of formation, thermo dynamic properties, vibrational frequencies, molecular orbitals, dipole moment, and solvation surface. Search for molecule structure. Start from Water Dimer. Optimize structure using MMFF forcefield. Turn off atom manipulation. Remove selected atom from stucture. Increase charge of selected atom. Decrease charge of selected atom. Turn off bond editing.
<META>
KEYWORDS
1 molcalc
2 the molecule calculator
3 new molecule
4 molecule list
5 molecule calculator
6 structure
7 start from methane
8 methane
9 start from benzene
10 benzene
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molcalc,the molecule calculator,new molecule,molecule list,molecule calculator,structure,start from methane,methane,start from benzene,benzene,water dimer,optimize,atom manipulation,drag selected atom,drag,delete,hydrogen,lithium,beryllium,carbon,nitrogen
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Molecule Calculator (MolCalc) | molcalc.org Reviews

https://molcalc.org

Is an application that allows anyone to build small molecules and estimate molecular properties such as structure, heat of formation, thermo dynamic properties, vibrational frequencies, molecular orbitals, dipole moment, and solvation surface. Search for molecule structure. Start from Water Dimer. Optimize structure using MMFF forcefield. Turn off atom manipulation. Remove selected atom from stucture. Increase charge of selected atom. Decrease charge of selected atom. Turn off bond editing.

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molcalc.org molcalc.org
1

Molecule Calculator (MolCalc)

http://molcalc.org/about

For usage, watch the tutorial video. How do I measure distances in MolCalc? You double-click on atom 1 and then double-click on atom 2, in the JSmol window. Starts at 3:24 in the video. How do I measure angles in MolCalc? You double-click on atom 1, single click on atom 2, and then double-click on atom 3, in the JSmol window. The JSmol looks broken? Touch it with your cursor and it will look great again. How can I use MolCalc in teaching? For more further examples and information read these blog posts.

2

Molecule Calculator (MolCalc)

http://molcalc.org/calculation

1,2,4,5-tetrafluorobenzene. Molecular nitrogen molecular nitrogen molecular nitrogen. 2,3,4-trioxobutanoic acid. 2,2,2-trifluoroacetic acid. C@H]12[C@ H]3[C@ H]4[C@H]1[C@ H]1[C@H]2[C@H]3[C@H]41. 1s,5s)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane. 2e,4e,6e)-octa-2,4,6-triene. C(=C C=C C=C C)/C=C C. Acetic acid acetic acid. Molecular nitrogen molecular nitrogen molecular nitrogen. Acetic acid acetic acid. 2s,3s)-2,3-dihydroxybutanedioic acid. C@ H]1([C@ H]([C@ H](OC1(O)O)O)O)O. Acetic acid acetic acid.

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