XLSX headers with method, constants, units; Cp, Cv, S, U, H, G vs T (molar); electronic degeneracies & term energies accounted for.

How does delivery work?

Checkout is processed by Lemon Squeezy (Merchant of Record). Your selected molecule’s XLSX downloads immediately after payment and a receipt is emailed to you.

Need a molecule not listed?

Email info@thermocalc.site for a custom request. Custom work is quoted via email and not sold through the store.

Download an XLSX for a Single Molecule

Instant delivery after payment. Each file contains S, C_p, C_v, U, H, G vs. T with units and method notes.

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Method: RRHO ideal gas; linear rotors use exact J-sum; non-linear rotors use classical rigid-rotor; full electronic partition function.

What’s included

XLSX headers documenting method, constants, and units
C_p, C_v, S, U, H, G vs. T (molar)
Electronic degeneracies & term energies accounted for

Non-linear rotors use the classical rigid-rotor formula; linear rotors use an exact J-sum. Translation uses Sackur–Tetrode; vibrations are harmonic.

How delivery works

Checkout: processed by Lemon Squeezy (Merchant of Record).
Delivery: your selected molecule’s XLSX downloads immediately after payment.
Receipts: you’ll receive a Lemon Squeezy receipt and a download email.
Links can be time-limited for security; keep your files locally.

Need a receipt or refund? Use your Lemon Squeezy receipt or reply to your order email.

Want a molecule not listed? Request it at info@thermocalc.site. (Custom work is quoted via email and is not sold through the store.)