Douglas J. Klein - Search Results

Year	Number of Results
2002	1
2004	2
2005	2
2006	2
2007	1
2008	2
2011	1
2013	1
2014	1
2015	2
2016	1
2020	1
2023	1
2024	0

1

Partially ordered sets: ranking and prediction of substances' properties.

Restrepo G, Brüggemann R, Klein DJ. Restrepo G, et al. Among authors: klein dj. Curr Comput Aided Drug Des. 2011 Jun;7(2):133-45. doi: 10.2174/157340911795677657. Curr Comput Aided Drug Des. 2011. PMID: 21534922 Review.

2

Borazine: spin blocker or not?

Bhattacharya D, Shil S, Misra A, Bytautas L, Klein DJ. Bhattacharya D, et al. Among authors: klein dj. Phys Chem Chem Phys. 2015 Jun 7;17(21):14223-37. doi: 10.1039/c5cp00801h. Epub 2015 May 12. Phys Chem Chem Phys. 2015. PMID: 25964003

3

Diborane Concatenation Leads to New Planar Boron Chemistry.

Oliva-Enrich JM, Kondo T, Alkorta I, Elguero J, Klein DJ. Oliva-Enrich JM, et al. Among authors: klein dj. Chemphyschem. 2020 Nov 3;21(21):2460-2467. doi: 10.1002/cphc.202000554. Epub 2020 Oct 13. Chemphyschem. 2020. PMID: 32744767

4

Clar theory extended for polyacenes and beyond.

Bhattacharya D, Panda A, Misra A, Klein DJ. Bhattacharya D, et al. Among authors: klein dj. J Phys Chem A. 2014 Jun 19;118(24):4325-38. doi: 10.1021/jp502235p. Epub 2014 Jun 9. J Phys Chem A. 2014. PMID: 24840951

5

The effect of hetero-atoms on spin exchange coupling pathways (ECPs): a computational investigation.

Shil S, Bhattacharya D, Misra A, Ortiz YP, Klein DJ. Shil S, et al. Among authors: klein dj. Phys Chem Chem Phys. 2023 May 31;25(21):14786-14798. doi: 10.1039/d3cp00394a. Phys Chem Chem Phys. 2023. PMID: 37194420

6

Posetic quantitative superstructure/activity relationships (QSSARs) for chlorobenzenes.

Ivanciuc T, Ivanciuc O, Klein DJ. Ivanciuc T, et al. Among authors: klein dj. J Chem Inf Model. 2005 Jul-Aug;45(4):870-9. doi: 10.1021/ci0501342. J Chem Inf Model. 2005. PMID: 16045280

7

The eight classes of positive-curvature graphitic nanocones.

Klein DJ, Balaban AT. Klein DJ, et al. J Chem Inf Model. 2006 Jan-Feb;46(1):307-20. doi: 10.1021/ci0503356. J Chem Inf Model. 2006. PMID: 16426066

8

Flow network QSAR for the prediction of physicochemical properties by mapping an electrical resistance network onto a chemical reaction poset.

Ivanciuc O, Ivanciuc T, Klein DJ. Ivanciuc O, et al. Among authors: klein dj. Curr Comput Aided Drug Des. 2013 Jun;9(2):233-40. doi: 10.2174/1573409911309020008. Curr Comput Aided Drug Des. 2013. PMID: 23700997

9

Toward Molecular Magnets of Organic Origin via Anion-π Interaction Involving m-Aminyl Diradical: A Theoretical Study.

Bhattacharya D, Shil S, Misra A, Bytautas L, Klein DJ. Bhattacharya D, et al. Among authors: klein dj. J Phys Chem A. 2016 Nov 17;120(45):9117-9130. doi: 10.1021/acs.jpca.6b09666. Epub 2016 Nov 3. J Phys Chem A. 2016. PMID: 27762548

10

Modeling the bioconcentration factors and bioaccumulation factors of polychlorinated biphenyls with posetic quantitative super-structure/activity relationships (QSSAR).

Ivanciuc T, Ivanciuc O, Klein DJ. Ivanciuc T, et al. Among authors: klein dj. Mol Divers. 2006 May;10(2):133-45. doi: 10.1007/s11030-005-9003-3. Epub 2006 May 19. Mol Divers. 2006. PMID: 16710809

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