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	The electronegativity equalization method and the split charge equilibration applied to organic systems: Parametrization, validation, and comparison [My Copy] The Journal of Chemical Physics, Vol. 131, No. 4. (2009), 044127. by Toon Verstraelen, Veronique Van Speybroeck, Michel Waroquier posted to population polarizable partitioning parameterization modeling longrange hardness forcefields esp electronegativity eem chargetransfer charges bondincrements abinitio by tovrstra on 2009-12-17 12:03:16 as
	Nonmetallic electronegativity equalization and point-dipole interaction model including exchange interactions for molecular dipole moments and polarizabilities [My Copy] The Journal of Chemical Physics, Vol. 131, No. 4. (2009), 044101. by Hans S. Smalo, Per Olof Aa Strand, Lasse Jensen posted to chargetransfer eem electronegativity hardness parameterization polarizable sqe by tovrstra on 2009-07-25 09:01:17 as
	A modified electronegativity equalization method for fast and accurate calculation of atomic charges in large biological molecules [My Copy] Phys. Chem. Chem. Phys., Vol. 11, No. 29. (2009), pp. 6082-6089. by Yongzhong Ouyang, Fei Ye, Yizeng Liang posted to chargetransfer eem electronegativity esp hardness parameterization polarizable by tovrstra on 2009-07-25 08:36:49 as along with 1 person flbarroso
	Charge sensitivity analysis of the interaction of pyrrole with basic FAU-type zeolites using the electronegativity equalization method [My Copy] Microporous Materials, Vol. 12, No. 1-3. (November 1997), pp. 1-11. by R. Heidler, G. Janssens, W. Mortier, R. Schoonheydt posted to eem electronegativity zeolites by tovrstra on 2009-04-22 14:01:55 as
	Comparison of Cluster and Infinite Crystal Calculations on Zeolites with the Electronegativity Equalization Method (EEM) [My Copy] The Journal of Physical Chemistry, Vol. 99, No. 10. (1 March 1995), pp. 3251-3258. by Geert O. Janssens, Bart G. Baekelandt, Helge Toufar, Wilfried J. Mortier, Robert A. Schoonheydt posted to eem electronegativity hardness longrange zeolites by tovrstra on 2009-04-22 13:40:22 as
	QTPIE: Charge transfer with polarization current equalization. A fluctuating charge model with correct asymptotics [My Copy] Chemical Physics Letters, Vol. 438, No. 4-6. (20 April 2007), pp. 315-320. by Jiahao Chen, Todd J. Martínez posted to eem by tovrstra on 2009-03-16 14:55:46 as
	A unified theoretical framework for fluctuating-charge models in atom-space and in bond-space [My Copy] The Journal of Chemical Physics, Vol. 129, No. 21. (2008), 214113. by Jiahao Chen, Dirk Hundertmark, Todd J. Martínez posted to eem by tovrstra on 2009-03-16 14:54:33 as
	Comment on “Classical polarizable force fields parametrized from ab initio calculations” [J. Chem. Phys. [bold 117], 1416 (2002)] [My Copy] The Journal of Chemical Physics, Vol. 118, No. 3. (2003), pp. 1571-1572. by Riccardo Chelli, Piero Procacci posted to eem electronegativity forcefields polarizable by tovrstra on 2009-03-16 14:25:57 as
	Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent [My Copy] The Journal of Physical Chemistry B, Vol. 108, No. 13. (1 April 2004), pp. 4171-4177. by K. Shimizu, H. Chaimovich, J. P. S. Farah, L. G. Dias, D. L. Bostick posted to eem by tovrstra on 2009-03-13 14:22:41 as along with 1 person flbarroso
	Comment to “Calculation of the Dipole Moment for Polypeptides Using the Generalized Born-Electronegativity Equalization Method: Results in Vacuum and Continuum-Dielectric Solvent” [My Copy] The Journal of Physical Chemistry B, Vol. 108, No. 43. (1 October 2004), pp. 16995-16997. by Riccardo Chelli, Piero Procacci posted to eem forcefields polarizable by tovrstra on 2009-03-13 14:18:32 as
	Parameterization of the electronegativity equalization method based on the charge model 1 [My Copy] Phys. Chem. Chem. Phys., Vol. 4, No. 24. (2002), pp. 5933-5936. by G. Menegon, K. Shimizu, J. P. S. Farah, L. G. Dias, H. Chaimovich posted to eem parameterization by tovrstra on 2009-02-28 14:13:47 as
	Intrinsic framework electronegativity: A novel concept in solid state chemistry [My Copy] The Journal of Chemical Physics, Vol. 86, No. 9. (1987), pp. 5063-5071. by Karin A. Van Genechten, Wilfried J. Mortier, Paul Geerlings posted to eem zeolites by tovrstra on 2009-02-28 14:05:33 as
	Delft molecular mechanics: a new approach to hydrocarbon force fields. Inclusion of a geometry-dependent charge calculation [My Copy] Faraday Trans., Vol. 90, No. 19. (1994), pp. 2881-2895. by Adri C. Duin, Jan M. Baas, Bastiaan Graaf posted to eem forcefields by tovrstra on 2009-02-28 14:04:25 as
	Fast Assignment of Accurate Partial Atomic Charges: An Electronegativity Equalization Method that Accounts for Alternate Resonance Forms [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 43, No. 6. (1 November 2003), pp. 1982-1997. by Michael K. Gilson, Hillary S. Gilson, Michael J. Potter posted to eem forcefields parameterization by tovrstra on 2009-02-28 13:53:27 as
	Atomic Charge Parameters for the Finite Difference Poisson−Boltzmann Method Using Electronegativity Neutralization [My Copy] Journal of Chemical Theory and Computation, Vol. 2, No. 4. (1 July 2006), pp. 1152-1167. by Qingyi Yang, Kim A. Sharp posted to eem parameterization by tovrstra on 2009-02-28 13:46:15 as
	Electronegativity Equalization Method: Parameterization and Validation for Large Sets of Organic, Organohalogene and Organometal Molecule [My Copy] International Journal of Molecular Sciences, Vol. 8, No. 7. (2007), pp. 572-582. by Radka S. Varekova, Zuzanna Jirouskova, Jakub Vanek, Simon Suchomel, Jaroslav Koca posted to eem parameterization by tovrstra on 2009-02-28 13:42:01 as
	High-Speed Calculation of AIM Charges through the Electronegativity Equalization Method [My Copy] The Journal of Physical Chemistry A, Vol. 108, No. 46. (1 November 2004), pp. 10359-10366. by P. Bultinck, R. Vanholme, P. L. A. Popelier, F. De Proft, P. Geerlings posted to eem parameterization by tovrstra on 2009-02-28 13:17:46 as
	The Electronegativity Equalization Method II: Applicability of Different Atomic Charge Schemes [My Copy] The Journal of Physical Chemistry A, Vol. 106, No. 34. (2002), pp. 7895-7901. by P. Bultinck, W. Langenaeker, P. Lahorte, et al.F. De Proft, P. Geerlings, C. Van Alsenoy, J. P. Tollenaere posted to eem parametercorrelations by tovrstra on 2009-02-28 13:17:11 as
	The Electronegativity Equalization Method I: Parametrization and Validation for Atomic Charge Calculations [My Copy] The Journal of Physical Chemistry A, Vol. 106, No. 34. (2002), pp. 7887-7894. by P. Bultinck, W. Langenaeker, P. Lahorte, et al.F. De Proft, P. Geerlings, M. Waroquier, J. P. Tollenaere posted to eem parameterization by tovrstra on 2009-02-28 13:16:56 as
	A combined electronegativity equalization and electrostatic potential fit method for the determination of atomic point charges [My Copy] Journal of Computational Chemistry, Vol. 28, No. 12. (2007), pp. 1936-1942. by Imre Berente, Eszter Czinki, Gábor Náray-Szabó posted to chargetransfer eem electronegativity by tovrstra on 2009-02-27 14:47:47 as
	Direct Determination of Thiol pKa by Isothermal Titration Microcalorimetry [My Copy] Journal of the American Chemical Society, Vol. 126, No. 34. (2004), pp. 10508-10509. by Stephen G. Tajc, Blanton S. Tolbert, Ravi Basavappa, Benjamin L. Miller posted to eem pka thiol by tovrstra on 2008-12-18 08:22:13 as
	Extending and simplifying the electronegativity equalization method [My Copy] Journal of Molecular Catalysis A: Chemical, Vol. 134, No. 1-3. (15 September 1998), pp. 79-88. by S. Njo posted to chargetransfer eem electronegativity hardness by tovrstra on 2006-04-19 12:51:42 as

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