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Model Files


Model files for following molecules are available for download in the Download Section after login.

1CLJ
Argon
Ar
Ben6Q
Br2
C1F4
C2Cl4
C2F4
C2F6
C2H2
C2H3N
C2H4_pl
C2H4
C2H6_2CLJ
C2H6
C2H6S
C3H4
C3H6
C4H4S
CBr2F2
CBrCl3
CBrClF2
CBrF2-CBrF2
CCl3-CF2Cl
CCl3-CH3
CCl4
CF2=CH2
CF4
CFBr=CF2
CFCl2-CF2Cl
CFCl=CF2
CH2Br2_D
CH2Br2_Q
CH2Br-CH2Br
CH2Br-CH3
CH2BrCl
CH2Cl2
CH2Cl-CCl3
CH2F-CCl3
CH2F-CH3
CH2I2
CH3Br
CH3Cl
CH3I
CH4
CHBr2-CH3
CHBr3
CHCCH3
CHCl2-CH2Cl
CHCl2-CH3
CHCl3
CHClBr-CF3
CHCl=CCl2
CHCl=CF2
CHCl=CH2
CHF=CH2
CHFCl2
CHOOH
Cl2
ClBen5Q1D
Cl
CO2_3lj
CO2
CO_D_pl
CO_D
CO_Q
CS2
cycC6H12
dme
eox
Ethane
Ethanol
F2
FA
HBrdp_fin
HBrpc_fin
HClpc_fin
HClpc
HCN
I2
infolist
Isobutan
Isobutene
Kr
Krypton
MeOH
methane
mg
mma
N2_pl
N2
Ne
NH3
NO2CH3
O2_pl
O2
Phosgen_fin
PhosgenRU
R113
R114
R115
R11
R123
R124
R125
R12
R134a
R134
R13B1
R13
R141b
R142b
R143a
R152a
R227ea
R22
R23
R30B2
R32
R41
SF6
SO2_pl
SO2
SPCE
SPC_E
SPC
stockmayer
Tip4p_orig
Tip4p_p
Tol5Q1D
Water
Xenon
Xe