Similar articles for PMID: 25061445

Year	Number of Results
1994	1
2000	1
2001	2
2002	2
2003	1
2004	1
2005	1
2006	3
2007	3
2008	2
2009	4
2010	7
2011	8
2012	7
2013	6
2014	4
2015	3
2016	5
2017	4
2018	7
2019	7
2020	9
2021	4
2022	6
2023	6
2024	3

1

Evaluation of CM5 Charges for Condensed-Phase Modeling.

Vilseck JZ, Tirado-Rives J, Jorgensen WL. Vilseck JZ, et al. J Chem Theory Comput. 2014 Jul 8;10(7):2802-2812. doi: 10.1021/ct500016d. Epub 2014 Apr 1. J Chem Theory Comput. 2014. PMID: 25061445 Free PMC article.

2

Evaluation of CM5 Charges for Nonaqueous Condensed-Phase Modeling.

Dodda LS, Vilseck JZ, Cutrona KJ, Jorgensen WL. Dodda LS, et al. J Chem Theory Comput. 2015 Sep 8;11(9):4273-82. doi: 10.1021/acs.jctc.5b00414. Epub 2015 Aug 27. J Chem Theory Comput. 2015. PMID: 26575922 Free PMC article.

3

1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations.

Dodda LS, Vilseck JZ, Tirado-Rives J, Jorgensen WL. Dodda LS, et al. J Phys Chem B. 2017 Apr 20;121(15):3864-3870. doi: 10.1021/acs.jpcb.7b00272. Epub 2017 Mar 2. J Phys Chem B. 2017. PMID: 28224794 Free PMC article.

4

Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases.

Marenich AV, Jerome SV, Cramer CJ, Truhlar DG. Marenich AV, et al. J Chem Theory Comput. 2012 Feb 14;8(2):527-41. doi: 10.1021/ct200866d. Epub 2012 Feb 3. J Chem Theory Comput. 2012. PMID: 26596602

5

Accuracy of free energies of hydration using CM1 and CM3 atomic charges.

Udier-Blagović M, Morales De Tirado P, Pearlman SA, Jorgensen WL. Udier-Blagović M, et al. J Comput Chem. 2004 Aug;25(11):1322-32. doi: 10.1002/jcc.20059. J Comput Chem. 2004. PMID: 15185325

6

Tuned and Balanced Redistributed Charge Scheme for Combined Quantum Mechanical and Molecular Mechanical (QM/MM) Methods and Fragment Methods: Tuning Based on the CM5 Charge Model.

Wang B, Truhlar DG. Wang B, et al. J Chem Theory Comput. 2013 Feb 12;9(2):1036-42. doi: 10.1021/ct300935m. Epub 2013 Jan 11. J Chem Theory Comput. 2013. PMID: 26588746

7

Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations.

Vilseck JZ, Sambasivarao SV, Acevedo O. Vilseck JZ, et al. J Comput Chem. 2011 Oct;32(13):2836-42. doi: 10.1002/jcc.21863. Epub 2011 Jul 5. J Comput Chem. 2011. PMID: 21732390

8

Implementation of the SM12 Solvation Model into ADF and Comparison with COSMO.

Peeples CA, Schreckenbach G. Peeples CA, et al. J Chem Theory Comput. 2016 Aug 9;12(8):4033-41. doi: 10.1021/acs.jctc.6b00410. Epub 2016 Jul 8. J Chem Theory Comput. 2016. PMID: 27322858

9

Modeling the Partial Atomic Charges in Inorganometallic Molecules and Solids and Charge Redistribution in Lithium-Ion Cathodes.

Wang B, Li SL, Truhlar DG. Wang B, et al. J Chem Theory Comput. 2014 Dec 9;10(12):5640-50. doi: 10.1021/ct500790p. J Chem Theory Comput. 2014. PMID: 26583247

10

Atomic Charges.

Wiberg KB, Rablen PR. Wiberg KB, et al. J Org Chem. 2018 Dec 21;83(24):15463-15469. doi: 10.1021/acs.joc.8b02740. Epub 2018 Dec 10. J Org Chem. 2018. PMID: 30474977

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