/thermochemistry/json
Calculate Thermochemistry
Spin multiplicity - 1
Total molecular charge
Payload file name (change optional)
Pressure in Pa
Temperature in K
const url = 'https://api.ouro.foundation/routes/stefanbringuier/thermochemistry/json';
const options = {
method: 'POST',
headers: {
'Authorization': 'ApiKey {your-ouro-api-key}',
'Content-Type': 'application/json'
}
};
const payload = {
"spin": 0,
"charge": 0,
"filename": "structure.xyz",
"pressure": 101325,
"temperature": 298.15
};
options.body = JSON.stringify(payload);
fetch(url, options)
.then(response => response.json())
.then(data => console.log(data))
.catch(error => console.error('Error:', error));
Calculate Thermochemistry
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