Reaction Viewer

For a reaction defined in a chemical database, examine its stoichiometric, structural, and benchmark information, as well as additional published computational data.

Configuration

Database

Reaction

Reaction Information

S22-15
Index 15
Description MX-8 Adenine-Thymine Complex Stack, C1
Class default, large, mx, mxdd, mxddpp, neutral
Reagent S22-15-dimer S22-15-monoA-unCP S22-15-monoB-unCP
Stoichiometry 1 -1 -1
Natom 30 15 15
Charge 0 0 0
Multiplicity 1 1 1

Interactive Molecule

SAPT Decomposition
SAPT2+3(CCD) / aug-cc-pVTZ
kcal/mol
Electrostatics -10.6582
Exchange 18.2994
Induction -2.4872
Dispersion -17.6415
Total -12.4875