Menu
Menu
Home
Slipchenko Group
Exciplexes DataBase
Cytosine in b-DNA and water solution
QM/EFP .inp
QM/MM .inp
FMO .inp
all snapshots
ns snapshots of MD
1.01 ns
1.02 ns
1.03 ns
1.04 ns
1.05 ns
1.06 ns
1.07 ns
1.08 ns
1.09 ns
1.1 ns
1.11 ns
1.12 ns
1.13 ns
1.14 ns
1.15 ns
1.16 ns
1.17 ns
1.18 ns
1.19 ns
1.2 ns
1.21 ns
1.22 ns
1.23 ns
1.24 ns
1.25 ns
1.26 ns
1.27 ns
1.28 ns
1.29 ns
1.3 ns
1.31 ns
1.32 ns
1.33 ns
1.34 ns
1.35 ns
1.36 ns
1.37 ns
1.38 ns
1.39 ns
1.4 ns
1.41 ns
1.42 ns
1.43 ns
1.44 ns
1.45 ns
1.46 ns
1.47 ns
1.48 ns
1.49 ns
1.5 ns
1.51 ns
1.52 ns
1.53 ns
1.54 ns
1.55 ns
1.56 ns
1.57 ns
1.58 ns
1.59 ns
1.6 ns
1.61 ns
1.62 ns
1.63 ns
1.64 ns
1.65 ns
1.66 ns
1.67 ns
1.68 ns
1.69 ns
1.7 ns
1.71 ns
1.72 ns
1.73 ns
1.74 ns
1.75 ns
1.76 ns
1.77 ns
1.78 ns
1.79 ns
1.8 ns
1.81 ns
1.82 ns
1.83 ns
1.84 ns
1.85 ns
1.86 ns
1.87 ns
1.88 ns
1.89 ns
1.9 ns
1.91 ns
1.92 ns
1.93 ns
1.94 ns
1.95 ns
1.96 ns
1.97 ns
1.98 ns
1.99 ns
2.0 ns
or
all
Methods
Gas Phase Results
QM/EFP eV
QM/MM eV
FMO eV
Shift
FWHM
Shift
FWHM
Shift
FWHM
1A'
0.
0.
0.
0.
0.
0.
1A"
0.
0.
0.
0.
0.
0.
2A"
0.
0.
0.
0.
0.
0.
4A"
0.
0.
0.
0.
0.
0.
2A'
0.
0.
0.
0.
0.
0.
3A"
0.
0.
0.
0.
0.
0.
