Janesko BG - Search Results

1

M11plus, a Range-Separated Hybrid Meta Functional Incorporating Nonlocal Rung-3.5 Correlation, Exhibits Broad Accuracy on Diverse Databases.

Janesko BG, Verma P, Scalmani G, Frisch MJ, Truhlar DG. Janesko BG, et al. J Phys Chem Lett. 2020 Apr 16;11(8):3045-3050. doi: 10.1021/acs.jpclett.0c00549. Epub 2020 Apr 3. J Phys Chem Lett. 2020. PMID: 32208727

2

Range separation and local hybridization in density functional theory.

Henderson TM, Janesko BG, Scuseria GE. Henderson TM, et al. Among authors: janesko bg. J Phys Chem A. 2008 Dec 11;112(49):12530-42. doi: 10.1021/jp806573k. J Phys Chem A. 2008. PMID: 19006280 Free PMC article. Review.

3

Evaluation of range-separated hybrid and other density functional approaches on test sets relevant for transition metal-based homogeneous catalysts.

Jiménez-Hoyos CA, Janesko BG, Scuseria GE. Jiménez-Hoyos CA, et al. Among authors: janesko bg. J Phys Chem A. 2009 Oct 29;113(43):11742-9. doi: 10.1021/jp902879m. J Phys Chem A. 2009. PMID: 19585973

4

Tunable fictitious substituent effects on the π-π interactions of substituted sandwich benzene dimers.

Garcia AM, Determan JJ, Janesko BG. Garcia AM, et al. Among authors: janesko bg. J Phys Chem A. 2014 May 8;118(18):3344-50. doi: 10.1021/jp5014972. Epub 2014 Apr 28. J Phys Chem A. 2014. PMID: 24773000

5

Practical auxiliary basis implementation of Rung 3.5 functionals.

Janesko BG, Scalmani G, Frisch MJ. Janesko BG, et al. J Chem Phys. 2014 Jul 21;141(3):034103. doi: 10.1063/1.4887085. J Chem Phys. 2014. PMID: 25053297

6

How far do electrons delocalize?

Janesko BG, Scalmani G, Frisch MJ. Janesko BG, et al. J Chem Phys. 2014 Oct 14;141(14):144104. doi: 10.1063/1.4897264. J Chem Phys. 2014. PMID: 25318712

7

Quantifying solvated electrons' delocalization.

Janesko BG, Scalmani G, Frisch MJ. Janesko BG, et al. Phys Chem Chem Phys. 2015 Jul 28;17(28):18305-17. doi: 10.1039/c5cp01967b. Phys Chem Chem Phys. 2015. PMID: 25994586

8

Quantifying Electron Delocalization in Electrides.

Janesko BG, Scalmani G, Frisch MJ. Janesko BG, et al. J Chem Theory Comput. 2016 Jan 12;12(1):79-91. doi: 10.1021/acs.jctc.5b00993. Epub 2015 Dec 10. J Chem Theory Comput. 2016. PMID: 26652208

9

Electron Delocalization Range in Atoms and on Molecular Surfaces.

Janesko BG, Wiberg KB, Scalmani G, Frisch MJ. Janesko BG, et al. J Chem Theory Comput. 2016 Jul 12;12(7):3185-94. doi: 10.1021/acs.jctc.6b00343. Epub 2016 Jun 10. J Chem Theory Comput. 2016. PMID: 27284687

10

Practical Density Functionals beyond the Overdelocalization-Underbinding Zero-Sum Game.

Janesko BG, Proynov E, Kong J, Scalmani G, Frisch MJ. Janesko BG, et al. J Phys Chem Lett. 2017 Sep 7;8(17):4314-4318. doi: 10.1021/acs.jpclett.7b02023. Epub 2017 Aug 29. J Phys Chem Lett. 2017. PMID: 28837338

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