Linear Free-Energy Relationships between a Single Gas-Phase Ab Initio Equilibrium Bond Length and Experimental pKaValues in Aqueous Solution

ChemPhysChem ◽  
2014 ◽  
Vol 16 (2) ◽  
pp. 465-469 ◽  
Author(s):  
Ibon Alkorta ◽  
Paul L. A. Popelier
Keyword(s):  
Aqueous Solution ◽  
Free Energy ◽  
Ab Initio ◽  
Bond Length ◽  
Gas Phase ◽  
Linear Free Energy Relationships ◽  
Equilibrium Bond Length ◽  
Linear Free Energy ◽  
Energy Relationships

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

2007 ◽  
Vol 42 (11) ◽  
pp. 1496-1503 ◽  
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

Linear free energy relationships on rate constants for the gas-phase reactions of hydroxyl radicals with PAHs and PCDD/Fs

Chemosphere ◽  
2005 ◽  
Vol 61 (10) ◽  
pp. 1523-1528 ◽  
Author(s):  
Chunli Yan ◽  
Jingwen Chen ◽  
Liping Huang ◽  
Guanghui Ding ◽  
Xiaoying Huang
Keyword(s):  
Free Energy ◽  
Gas Phase ◽  
Hydroxyl Radicals ◽  
Rate Constants ◽  
Linear Free Energy Relationships ◽  
Gas Phase Reactions ◽  
Linear Free Energy ◽  
Energy Relationships

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

Biochemistry ◽  
1996 ◽  
Vol 35 (45) ◽  
pp. 14225-14231 ◽  
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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