Difference between revisions of "Chemistry"

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! scope="col" style="width: 250px;"|'''Addition or Link'''
 
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|xxx
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|CheMPS2
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|xxx
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|Spin-adapted implementation of DMRG for ab initio quantum chemistry
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|xxx
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|[[https://svnweb.freebsd.org/ports/head/science/chemps2/pkg-descr?revision=HEAD]] [[https://github.com/SebWouters/CheMPS2]]
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|-
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|Jmol
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|Java 3D viewer for chemical structures
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|[[https://svnweb.freebsd.org/ports/head/science/jmol/pkg-descr?revision=HEAD]] [[https://sourceforge.net/projects/jmol/]]
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|-
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|MolScript
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|Display 3D molecules in schematic and detailed representations
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|[[https://svnweb.freebsd.org/ports/head/science/molscript/pkg-descr?revision=HEAD]] [[http://avatar.se/molscript/molscript.html]]
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|atom-chemistry
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|Program for DFT calculations in atoms
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|[[https://svnweb.freebsd.org/ports/head/science/atom/pkg-descr?revision=HEAD]] [[https://departments.icmab.es/leem/siesta/]]
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|avogadro2
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|Chemical editor and visualization application
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|[[https://svnweb.freebsd.org/ports/head/science/avogadro2/pkg-descr?revision=HEAD]] [[https://www.openchemistry.org/projects/avogadro2/]]
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|-
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|avogadrolibs
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|Avogadro2 libraries for chemical editor and visualization applications
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|[[https://svnweb.freebsd.org/ports/head/science/avogadrolibs/pkg-descr?revision=HEAD]] [[https://www.openchemistry.org/projects/avogadro2/]]
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Revision as of 11:50, 16 January 2020

Welcome to theIcon Disti GhostBSD.png Chemistry
App/Package Abstract Addition or Link
CheMPS2 Spin-adapted implementation of DMRG for ab initio quantum chemistry [[1]] [[2]]
Jmol Java 3D viewer for chemical structures [[3]] [[4]]
MolScript Display 3D molecules in schematic and detailed representations [[5]] [[6]]
atom-chemistry Program for DFT calculations in atoms [[7]] [[8]]
avogadro2 Chemical editor and visualization application [[9]] [[10]]
avogadrolibs Avogadro2 libraries for chemical editor and visualization applications [[11]] [[12]]
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