Faculty for Chemistry and Pharmacy - Group of Prof. Zipse
LMU
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Dept. of Biochemistry
Dept. of Chemistry
Dept. of Pharmacy
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Computational Chemistry 1
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Information on Gaussian 03/09
Information on Tinker and FFE
Constants and Conversion Units
Monographs
Computational Chemistry Links
Computational Chemistry 2
Organische Chemie 5
Radicals in Chemistry and Biology
Organisch-chemisches Praktikum für Lehramtstudierende
Organische Chemie 1
RAMIOC
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VidBibOCP-Videothek
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Computational Chemistry Links
general
Computational Chemistry List
EMSL Basis Set Library
Basis Set Library of Don Truhlar
Quantum Chemistry Program Exchange (QCPE)
Australian Computational Chemistry via the Internet (ACCVIP)
IUPAC
Acronyms used in Theoretical Chemistry (1996)
Glossary of Terms Used in Computational Drug Design (1997)
Glossary of terms used in theoretical organic chemistry (1999)
(A German translation is available as a pdf file
here
)
Quantum chemical B3LYP/cc-pvqz computation of ground-state structures and properties of small molecules with atoms of Z¾18 (hydrogen to argon)(2001)
programs in computational chemistry
Tools (visualization, data transformation . . )
MOLDEN
Molekel
Rasmol
MOLCAD
the original
Babel homepage
or commercial Babel at
OE Scientific Software
QM-programs
ACES homepage
Amsol homepage
CADPAC homepage
Dalton homepage
Gamess homepage
HyperChem homepage
Gaussian homepage
MOLPRPO homepage in
Birmingham
or in
Stuttgart
information on
MOPAC2002
information on
MOPAC 7
NWChem homepage
information on
ORCA
Q-Chem homepage
Turbomole homepage
Schrödinger homepage (Jaguar, Titan, MacroModel)
Wavefunction homepage (Spartan)
MM-programs
TINKER
Ghemical
AMBER
MacroModel
BOSS
information on
MM2
and
MM3
other internet resources
an online source of chemical reference data:
NIST Chemistry WebBook
for physical reference data see the
NIST Physical Reference Databases