Kilocalorie per mole

Kilocalorie per mole
Results: 2

#	Item
1	Irikura, K. K. In "Computational Thermochemistry: Prediction and Estimation of Molecular Thermodynamics" (ACS Symposium Series 677); Irikura, K. K. and Frurip, D. J., Eds.; American Chemical Society: Washington, DC, 1998 Add to Reading List Source URL: www.nist.gov Language: English - Date: 2012-10-04 10:53:05 KT Kilocalorie per mole Heat capacity Statistical mechanics Hybrid functional Entropy Ideal gas Enthalpy of vaporization Thermodynamics Physics Chemistry
2	Predicting hydration free energies with a hybrid QM/MM approach 5 Supplemental material Table 5 Trivial or chemical names for each molecule Molecule Add to Reading List Source URL: link.springer.com Language: English Theoretical chemistry Solutions Basis set Quantum chemistry Polarizable continuum model Implicit solvation Solvation Kilocalorie per mole Molecular dynamics Chemistry Computational chemistry Molecular modelling

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