predinit: Table of predicted internal energy E and HOMO-LUMO gap for...
In iqspr: Inverse Molecular Design
Description
A dataset containing the predicted internal energy E and HOMO-LUMO gap
for the phenol
Usage
1
Format
A matrix with 1 row of 2 variables:
- E
internal energy, in kJ/mol
- HOMO-LUMO gap
HOMO-LUMO gap, in eV
...
iqspr documentation built on Aug. 1, 2017, 9:02 a.m.
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Description
A dataset containing the predicted internal energy E and HOMO-LUMO gap for the phenol
Usage
1 |
Format
A matrix with 1 row of 2 variables:
- E
internal energy, in kJ/mol
- HOMO-LUMO gap
HOMO-LUMO gap, in eV
...
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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