Origin of Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in SN2 Reactions

Edina Rosta; Arieh Warshel

doi:10.1021/ct2009329

Origin of Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in SN2 Reactions

Journal of Chemical Theory and Computation ◽

10.1021/ct2009329 ◽

2012 ◽

Vol 8 (10) ◽

pp. 3574-3585 ◽

Cited By ~ 20

Author(s):

Edina Rosta ◽

Arieh Warshel

Keyword(s):

Free Energy ◽

Linear Free Energy Relationships ◽

Sn2 Reactions ◽

Linear Free Energy ◽

Energy Relationships ◽

Diagonal Coupling

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Kinetic Studies of Bimolecular Nucleophilic Substitution. II. Structural Effects of Alkyl Halides on the Rate of SN2 Reactions —A Reinvestigation of the Linear Free-Energy Relationships for the Structural Variation of the Alkyl Groups

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.40.1905 ◽

1967 ◽

Vol 40 (8) ◽

pp. 1905-1908 ◽

Cited By ~ 9

Author(s):

Kunio Okamoto ◽

Issei Nitta ◽

Tetsuo Imoto ◽

Haruo Shingu

Keyword(s):

Free Energy ◽

Structural Variation ◽

Kinetic Studies ◽

Alkyl Halides ◽

Linear Free Energy Relationships ◽

Structural Effects ◽

Sn2 Reactions ◽

Linear Free Energy ◽

Alkyl Groups ◽

Energy Relationships

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Predicting the Gas/Particle Distribution of SVOCs in the Indoor Environment Using Poly Parameter Linear Free Energy Relationships

Environmental Science & Technology ◽

10.1021/acs.est.8b06585 ◽

2019 ◽

Vol 53 (5) ◽

pp. 2491-2499 ◽

Cited By ~ 15

Author(s):

Tunga Salthammer ◽

Kai-Uwe Goss

Keyword(s):

Free Energy ◽

Indoor Environment ◽

Particle Distribution ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Contribution of Linear Free Energy Relationships to Isozyme- and pH-Dependent Substrate Selectivity of Glutathione S-Transferases: Comparison of Model Studies and Enzymatic Reactions

Journal of the American Chemical Society ◽

10.1021/ja980816o ◽

1998 ◽

Vol 120 (27) ◽

pp. 6651-6660 ◽

Cited By ~ 5

Author(s):

Brenda S. Nieslanik ◽

William M. Atkins

Keyword(s):

Free Energy ◽

Enzymatic Reactions ◽

Substrate Selectivity ◽

Linear Free Energy Relationships ◽

Model Studies ◽

Linear Free Energy ◽

Glutathione S Transferases ◽

Energy Relationships ◽

Ph Dependent

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Linear Free Energy Relationships in SNAr Reactions of Aryl and Diaryl N-Anions with Aryl Halides

Russian Journal of General Chemistry ◽

10.1023/b:rugc.0000031864.05199.b2 ◽

2004 ◽

Vol 74 (4) ◽

pp. 600-605 ◽

Cited By ~ 3

Author(s):

V. M. Vlasov ◽

I. A. Os'kina

Keyword(s):

Free Energy ◽

Aryl Halides ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Linear free energy relationships in CN bond dissociations in molecular ions of 4-substitutedN-(2-furylmethyl)anilines in the gas phase

Journal of Mass Spectrometry ◽

10.1002/jms.1258 ◽

2007 ◽

Vol 42 (11) ◽

pp. 1496-1503 ◽

Cited By ~ 5

Author(s):

Eduardo A. Solano Espinoza ◽

Elena Stashenko ◽

Jairo Martínez ◽

Uriel Mora ◽

Vladimir Kouznetsov

Keyword(s):

Free Energy ◽

Gas Phase ◽

Molecular Ions ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Linear Free Energy Relationships in the Intrinsic and GTPase Activating Protein-Stimulated Guanosine 5‘-Triphosphate Hydrolysis of p21ras†

Biochemistry ◽

10.1021/bi961118o ◽

1996 ◽

Vol 35 (45) ◽

pp. 14225-14231 ◽

Cited By ~ 53

Author(s):

T. Schweins ◽

M. Geyer ◽

H. R. Kalbitzer ◽

A. Wittinghofer ◽

A. Warshel

Keyword(s):

Free Energy ◽

Linear Free Energy Relationships ◽

Gtpase Activating Protein ◽

Linear Free Energy ◽

Energy Relationships ◽

Hydrolysis Of

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Determining Linear Free Energy Relationships in Peptide Fragmentation Using Derivatization and Targeted Mass Spectrometry

Analytical Chemistry ◽

10.1021/acs.analchem.7b02191 ◽

2018 ◽

Vol 90 (3) ◽

pp. 1587-1594 ◽

Cited By ~ 3

Author(s):

Yuanyuan Shen ◽

Reza Nemati ◽

Lei Wang ◽

Xudong Yao

Keyword(s):

Mass Spectrometry ◽

Free Energy ◽

Peptide Fragmentation ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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Linear Free Energy Relationships in Dinuclear Compounds. 2.†Inductive Redox Tuning via Remote Substituents in Quadruply Bonded Dimolybdenum Compounds

Inorganic Chemistry ◽

10.1021/ic960555o ◽

1996 ◽

Vol 35 (22) ◽

pp. 6422-6428 ◽

Cited By ~ 79

Author(s):

Chun Lin ◽

John D. Protasiewicz ◽

Eugene T. Smith ◽

Tong Ren

Keyword(s):

Free Energy ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Redox Tuning ◽

Energy Relationships ◽

Dinuclear Compounds

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Linear free energy relationships and the kinetics of ligand substitutions. Correlation of rate constants with overall stability constants of reactive intermediate species in the stepwise formation of tetracyanonickelate(II) from mono aminocarboxylatonickel (II) complexes

Transition Metal Chemistry ◽

10.1007/bf01396884 ◽

1980 ◽

Vol 5 (1) ◽

pp. 111-113 ◽

Cited By ~ 1

Author(s):

Krishan Kumar ◽

Prem C. Nigam

Keyword(s):

Free Energy ◽

Rate Constants ◽

Linear Free Energy Relationships ◽

Reactive Intermediate ◽

Intermediate Species ◽

Linear Free Energy ◽

Overall Stability ◽

Energy Relationships ◽

Kinetics Of ◽

Stepwise Formation

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Linear free energy relationships for excimers

Journal of the American Chemical Society ◽

10.1021/ja00246a053 ◽

1987 ◽

Vol 109 (12) ◽

pp. 3790-3792 ◽

Cited By ~ 28

Author(s):

Klaas A. Zachariasse ◽

Gert Duveneck

Keyword(s):

Free Energy ◽

Linear Free Energy Relationships ◽

Linear Free Energy ◽

Energy Relationships

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