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    The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

    The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building von DUPRADEAN, François-Yves, PIGACHE, Adrien, ZAFFRAN, Thomas, SAVINEAU, Corentin, LELONG, Rodolphe, GRIVEL, Nicolas, LELONG, Dimitri, ROSANSKI, Wilfried, CIEPLAK, Piotr


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    The R.E.D. tools: advances in RESP and ESP charge derivation and force field library buildingElectronic supplementary information (ESI) available: Examples of P2N input files for the R.E.D. program, a screen snapshot of the X R.E.D. graphical interface as well as the summary of the molecular systems studied in this work and submitted to R.E.DD.B. See DOI: 10.1039/c0cp00111b

    The R.E.D. tools: advances in RESP and ESP charge derivation and force field library buildingElectronic supplementary information (ESI) available: Examples of P2N input files for t... von Dupradeau, François-Yves, Pigache, Adrien, Zaffran, Thomas, Savineau, Corentin, Lelong, Rodolphe, Grivel, Nicolas, Lelong, Dimitri, Rosanski, Wilfried, Cieplak, Piotr


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