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Items: 1 to 20 of 91

1.

S(N)1-S(N)2 and S(N)2-S(N)3 mechanistic changes revealed by transition states of the hydrolyses of benzyl chlorides and benzenesulfonyl chlorides.

Yamabe S, Zeng G, Guan W, Sakaki S.

J Comput Chem. 2014 Jun 5;35(15):1140-8. doi: 10.1002/jcc.23607. Epub 2014 Apr 15.

PMID:
24733373
4.

A new insight into using chlorine leaving group and nucleophile carbon kinetic isotope effects to determine substituent effects on the structure of SN2 transition states.

Westaway KC, Fang YR, MacMillar S, Matsson O, Poirier RA, Islam SM.

J Phys Chem A. 2007 Aug 23;111(33):8110-20. Epub 2007 Jul 31.

PMID:
17663535
5.

Substituent Effects on Menshutkin-Type Reactions in the Gas Phase and Solutions: Theoretical Approach from the Orbital Interaction View.

Jiang L, Orimoto Y, Aoki Y.

J Chem Theory Comput. 2013 Sep 10;9(9):4035-45. doi: 10.1021/ct4006163. Epub 2013 Aug 6.

PMID:
26592399
6.
7.

Hydrolysis theory for cisplatin and its analogues based on density functional studies.

Zhang Y, Guo Z, You XZ.

J Am Chem Soc. 2001 Sep 26;123(38):9378-87.

PMID:
11562220
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12.

Nonlinear Hammett plots in pyridinolysis of 2,4-dinitrophenyl X-substituted benzoates: change in RDS versus resonance contribution.

Um IH, Im LR, Kim EH, Shin JH.

Org Biomol Chem. 2010 Aug 21;8(16):3801-6. doi: 10.1039/c0ob00031k. Epub 2010 Jun 28.

PMID:
20585674
13.

Substituent effect on the acid-promoted hydrolysis of 2-aryloxazolin-5-one: normal vs reverse.

Zeng Y, Xue Y, Yan G.

J Phys Chem A. 2011 May 19;115(19):4995-5004. doi: 10.1021/jp200685g. Epub 2011 Apr 27.

PMID:
21524108
14.

Liquid ammonia as a dipolar aprotic solvent for aliphatic nucleophilic substitution reactions.

Ji P, Atherton J, Page MI.

J Org Chem. 2011 Mar 4;76(5):1425-35. doi: 10.1021/jo102173k.

PMID:
21348532
15.

Origin of the SN2 benzylic effect.

Galabov B, Nikolova V, Wilke JJ, Schaefer HF 3rd, Allen WD.

J Am Chem Soc. 2008 Jul 30;130(30):9887-96. doi: 10.1021/ja802246y. Epub 2008 Jul 3.

PMID:
18597451
16.

Substituent-controlled annuloselectivity and stereoselectivity in the sulfa-Staudinger cycloadditions.

Yang Z, Chen N, Xu J.

J Org Chem. 2015 Apr 3;80(7):3611-20. doi: 10.1021/acs.joc.5b00312. Epub 2015 Mar 25.

PMID:
25756543
17.

Rationalization of Diels-Alder reactions through the use of the dual reactivity descriptor Deltaf(r).

Morell C, Ayers PW, Grand A, Gutiérrez-Oliva S, Toro-Labbé A.

Phys Chem Chem Phys. 2008 Dec 28;10(48):7239-46. doi: 10.1039/b810343g. Epub 2008 Oct 23.

PMID:
19060968
18.

Density functional study of S(N) 2 substitution reactions for CH(3) Cl + CX(1) X(2•-) (X(1) X(2) = HH, HF, HCl, HBr, HI, FF, ClCl, BrBr, and II).

Liang JX, Geng ZY, Wang YC.

J Comput Chem. 2012 Mar 5;33(6):595-606. doi: 10.1002/jcc.21972. Epub 2012 Jan 13.

PMID:
22241464
19.

Radical/Ion pair formation in the electrochemical reduction of arene sulfenyl chlorides.

Ji C, Ahmida M, Chahma M, Houmam A.

J Am Chem Soc. 2006 Dec 6;128(48):15423-31.

PMID:
17132009
20.

Reaction paths of the water-assisted solvolysis of N,N-dimethylformamide.

Tsuchida N, Satou H, Yamabe S.

J Phys Chem A. 2007 Jul 19;111(28):6296-303. Epub 2007 Jun 20.

PMID:
17580828

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