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Items: 1 to 20 of 97

1.

Theoretical investigation of the selectivity in intramolecular cyclizations of some 2'-aminochalcones to dihydroquinolin-8-ones and indolin-3-ones.

Reyes A, Cuervo PA, Orozco F, Abonia R, Duque-Noreña M, Pérez P, Chamorro E.

J Mol Model. 2013 Sep;19(9):3611-8. doi: 10.1007/s00894-013-1893-x. Epub 2013 Jun 8.

PMID:
23748481
2.

Mechanistic insights on the cycloisomerization of polyunsaturated precursors catalyzed by platinum and gold complexes.

Soriano E, Marco-Contelles J.

Acc Chem Res. 2009 Aug 18;42(8):1026-36. doi: 10.1021/ar800200m.

PMID:
19480448
3.
4.

Mechanism, kinetics and selectivity of selenocyclization of 5-alkenylhydantoins: an experimental and computational study.

Šmit BM, Pavlović RZ, Milenković DA, Marković ZS.

Beilstein J Org Chem. 2015 Oct 7;11:1865-75. doi: 10.3762/bjoc.11.200. eCollection 2015.

5.
6.

Bonding reactivity descriptor from conceptual density functional theory and its applications to elucidate bonding formation.

Zhou PP, Liu S, Ayers PW, Zhang RQ.

J Chem Phys. 2017 Oct 7;147(13):134303. doi: 10.1063/1.5004406.

PMID:
28987121
7.

Spin-polarized conceptual density functional theory study of the regioselectivity in ring closures of radicals.

Pintér B, De Proft F, Van Speybroeck V, Hemelsoet K, Waroquier M, Chamorro E, Veszprémi T, Geerlings P.

J Org Chem. 2007 Jan 19;72(2):348-56.

PMID:
17221949
8.

Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone system.

Soto-Delgado J, Sáez JA, Tapia RA, Domingo LR.

Org Biomol Chem. 2013 Dec 28;11(48):8357-65. doi: 10.1039/c3ob41860j. Epub 2013 Oct 29.

PMID:
24170110
9.

Tuning selectivity of anionic cyclizations: competition between 5-exo and 6-endo-dig closures of hydrazides of o-acetylenyl benzoic acids and based-catalyzed fragmentation/recyclization of the initial 5-exo-dig products.

Vasilevsky SF, Mikhailovskaya TF, Mamatyuk VI, Salnikov GE, Bogdanchikov GA, Manoharan M, Alabugin IV.

J Org Chem. 2009 Nov 6;74(21):8106-17. doi: 10.1021/jo901551g.

PMID:
19780573
10.
11.

A combined theoretical and experimental study of efficient and fast titanocene-catalyzed 3-exo cyclizations.

Friedrich J, Dolg M, Gansäuer A, Geich-Gimbel D, Lauterbach T.

J Am Chem Soc. 2005 May 18;127(19):7071-7.

PMID:
15884950
12.
13.

Rules for anionic and radical ring closure of alkynes.

Alabugin IV, Gilmore K, Manoharan M.

J Am Chem Soc. 2011 Aug 17;133(32):12608-23. doi: 10.1021/ja203191f. Epub 2011 Jul 25.

PMID:
21675773
14.

Reverse cope elimination of hydroxylamines and alkenes or alkynes: theoretical investigation of tether length and substituent effects.

Krenske EH, Davison EC, Forbes IT, Warner JA, Smith AL, Holmes AB, Houk KN.

J Am Chem Soc. 2012 Feb 1;134(4):2434-41. doi: 10.1021/ja211568k. Epub 2012 Jan 17.

15.

Dual descriptors within the framework of spin-polarized density functional theory.

Chamorro E, Pérez P, Duque M, De Proft F, Geerlings P.

J Chem Phys. 2008 Aug 14;129(6):064117. doi: 10.1063/1.2965594.

PMID:
18715061
16.

5-endo-dig radical cyclizations: "the poor cousins" of the radical cyclizations family.

Alabugin IV, Manoharan M.

J Am Chem Soc. 2005 Jul 6;127(26):9534-45.

PMID:
15984880
17.
18.

Theoretical elucidation of kinetic and thermodynamic control of radical addition regioselectivity.

Leach AG, Wang R, Wohlhieter GE, Khan SI, Jung ME, Houk KN.

J Am Chem Soc. 2003 Apr 9;125(14):4271-8.

PMID:
12670249
19.

Controlling the regiochemistry of radical cyclizations.

Ishibashi H.

Chem Rec. 2006;6(1):23-31. Review.

PMID:
16470801
20.

Regiodivergent access to five- and six-membered benzo-fused lactams: Ru-catalyzed olefin hydrocarbamoylation.

Li B, Park Y, Chang S.

J Am Chem Soc. 2014 Jan 22;136(3):1125-31. doi: 10.1021/ja411913e. Epub 2014 Jan 10.

PMID:
24410349

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