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	1.	Comparison of RESP and IPolQ-Mod Partial Charges for Solvation Free Energy Calculations of Various Solute/Solvent Pairs. [electronic resource] by Mecklenfeld, Andreas Raabe, Gabriele Producer: 20180313 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies. [electronic resource] by Mecklenfeld, Andreas Raabe, Gabriele Producer: 20210531 In: Journal of computer-aided molecular design vol. 34 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom. [electronic resource] by Schappals, Michael Mecklenfeld, Andreas Kröger, Leif Botan, Vitalie Köster, Andreas Stephan, Simon García, Edder J Rutkai, Gabor Raabe, Gabriele Klein, Peter Leonhard, Kai Glass, Colin W Lenhard, Johannes Vrabec, Jadran Hasse, Hans Producer: 20180404 In: Journal of chemical theory and computation vol. 13 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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