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fix typo in rmg thermo documentation
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jonwzheng committed Aug 6, 2024
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Expand Up @@ -154,7 +154,7 @@ On-the-fly Quantum-chemical calculation of Thermochemical Properties (QMTP)
===========================================================================
An interface for performing on-the-fly quantum and force field calculations
has been developed and integrated into RMG to complement the species thermochemistry databases and
group contribution methods [Magoon and Green]_. This interface is particularly interesting for the estimation of
group contribution methods [MagoonAndGreen]_. This interface is particularly interesting for the estimation of
thermochemistry of molecules that are not present in one of the species thermochemistry databases,
and which cannot be estimated with sufficient accuracy using the Benson group additivity framework. This
pertains specifically to polycyclic fused ring containing species, whose ring strain cannot be modeled using
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.. [Lay1995] Lay, T.; Bozzelli, J.; Dean, A.; Ritter, E. J. Phys. Chem. 1995, 99,14514-14527
.. [Magoon and Green] Magoon, Gregory R., and William H. Green. "Design and implementation of a next-generation software interface for on-the-fly quantum and force field calculations in automated reaction mechanism generation." Computers & Chemical Engineering 52 (2013): 35-45.
.. [MagoonAndGreen] Magoon, Gregory R., and William H. Green. "Design and implementation of a next-generation software interface for on-the-fly quantum and force field calculations in automated reaction mechanism generation." Computers & Chemical Engineering 52 (2013): 35-45.
.. [Allinger] Allinger, N. L., & Lii, J.-H. (2008). MM4(2008) and MM4(2003).
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