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Exciplexes DataBase
Cytosine in 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'
0.325
0.306
0.189
0.324
0.045
0.353
1A"
0.654
0.632
0.570
1.107
0.498
0.613
2A"
0.542
0.357
0.452
1.217
0.375
0.495
4A"
0.811
0.327
0.698
1.955
0.008
0.689
2A'
0.233
0.408
0.104
0.659
0.089
0.601
3A"
0.667
0.654
0.388
1.262
0.413
0.610
