119 related articles for article (PubMed ID: 29437289)
1. Ion-Pair S
Laloo JZA; Rhyman L; Larrañaga O; Ramasami P; Bickelhaupt FM; de Cózar A
Chem Asian J; 2018 May; 13(9):1138-1147. PubMed ID: 29437289
[TBL] [Abstract][Full Text] [Related]
2. Activation Strain Analyses of Counterion and Solvent Effects on the Ion-Pair S
Savoo N; Laloo JZA; Rhyman L; Ramasami P; Bickelhaupt FM; Poater J
J Comput Chem; 2020 Feb; 41(4):317-327. PubMed ID: 31713259
[TBL] [Abstract][Full Text] [Related]
3. Ion-Pair SN 2 Substitution: Activation Strain Analyses of Counter-Ion and Solvent Effects.
Laloo JZ; Rhyman L; Ramasami P; Bickelhaupt FM; de Cózar A
Chemistry; 2016 Mar; 22(13):4431-9. PubMed ID: 26879231
[TBL] [Abstract][Full Text] [Related]
4. Frontside versus Backside S(N)2 substitution at group 14 atoms: origin of reaction barriers and reasons for their absence.
Bento AP; Bickelhaupt FM
Chem Asian J; 2008 Oct; 3(10):1783-92. PubMed ID: 18712744
[TBL] [Abstract][Full Text] [Related]
5. Nucleophilicity and leaving-group ability in frontside and backside S(N)2 reactions.
Bento AP; Bickelhaupt FM
J Org Chem; 2008 Sep; 73(18):7290-9. PubMed ID: 18690745
[TBL] [Abstract][Full Text] [Related]
6. Nucleophilic Substitution in Solution: Activation Strain Analysis of Weak and Strong Solvent Effects.
Hamlin TA; van Beek B; Wolters LP; Bickelhaupt FM
Chemistry; 2018 Apr; 24(22):5927-5938. PubMed ID: 29457865
[TBL] [Abstract][Full Text] [Related]
7. Computational Insights into S
Feng H; Li R; Wu Y; Liu X
Chemphyschem; 2024 Jan; 25(1):e202300525. PubMed ID: 37905393
[TBL] [Abstract][Full Text] [Related]
8. Ambident Nucleophilic Substitution: Understanding Non-HSAB Behavior through Activation Strain and Conceptual DFT Analyses.
Bettens T; Alonso M; De Proft F; Hamlin TA; Bickelhaupt FM
Chemistry; 2020 Mar; 26(17):3884-3893. PubMed ID: 31957943
[TBL] [Abstract][Full Text] [Related]
9. Effect of metal ions (Li+, Na+, K+, Mg2+, Ca2+, Ni2+, Cu2+, and Zn2+) and water coordination on the structure of glycine and zwitterionic glycine.
Remko M; Rode BM
J Phys Chem A; 2006 Feb; 110(5):1960-7. PubMed ID: 16451030
[TBL] [Abstract][Full Text] [Related]
10. Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.
Marenich AV; Cramer CJ; Truhlar DG
J Phys Chem B; 2009 May; 113(18):6378-96. PubMed ID: 19366259
[TBL] [Abstract][Full Text] [Related]
11. Modified Gaussian-2 level investigation of the identity ion-pair SN2 reactions of lithium halide and methyl halide with inversion and retention mechanisms.
Ren Y; Chu SY
J Comput Chem; 2004 Mar; 25(4):461-71. PubMed ID: 14735566
[TBL] [Abstract][Full Text] [Related]
12. Using Implicit Solvent in Ab Initio Electrochemical Modeling: Investigating Li⁺/Li Electrochemistry at a Li/Solvent Interface.
Lespes N; Filhol JS
J Chem Theory Comput; 2015 Jul; 11(7):3375-82. PubMed ID: 26575771
[TBL] [Abstract][Full Text] [Related]
13. Competing gas-phase substitution and elimination reactions of gemini surfactants with anionic counterions by mass spectrometry. Density functional theory correlations with their bolaform halide salt models.
Aimé C; Plet B; Manet S; Schmitter JM; Huc I; Oda R; Sauers RR; Romsted LS
J Phys Chem B; 2008 Nov; 112(46):14435-45. PubMed ID: 19012368
[TBL] [Abstract][Full Text] [Related]
14. The Effect of Solvation on the Radiation Damage Rate Constants for Adenine.
Milhøj BO; Sauer SP
Chemphyschem; 2016 Oct; 17(19):3086-3095. PubMed ID: 27384247
[TBL] [Abstract][Full Text] [Related]
15. Hydration and speciation studies of Mn2+ in aqueous solution with simple monovalent anions (ClO4-, NO3-, Cl-, Br-).
Rudolph WW; Irmer G
Dalton Trans; 2013 Oct; 42(40):14460-72. PubMed ID: 23969599
[TBL] [Abstract][Full Text] [Related]
16. Addition-Elimination or Nucleophilic Substitution? Understanding the Energy Profiles for the Reaction of Chalcogenolates with Dichalcogenides.
Bortoli M; Wolters LP; Orian L; Bickelhaupt FM
J Chem Theory Comput; 2016 Jun; 12(6):2752-61. PubMed ID: 27096625
[TBL] [Abstract][Full Text] [Related]
17. Microsolvated Ion-Molecule S
Wu X; Zhao C; Xie J
Chemphyschem; 2022 Sep; 23(18):e202200285. PubMed ID: 35672884
[TBL] [Abstract][Full Text] [Related]
18. Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges.
Marenich AV; Olson RM; Kelly CP; Cramer CJ; Truhlar DG
J Chem Theory Comput; 2007 Nov; 3(6):2011-33. PubMed ID: 26636198
[TBL] [Abstract][Full Text] [Related]
19. A Unified Framework for Understanding Nucleophilicity and Protophilicity in the S
Vermeeren P; Hansen T; Jansen P; Swart M; Hamlin TA; Bickelhaupt FM
Chemistry; 2020 Dec; 26(67):15538-15548. PubMed ID: 32866336
[TBL] [Abstract][Full Text] [Related]
20. Computational studies of ion-pair separation of benzylic organolithium compounds in THF: importance of explicit and implicit solvation.
Deora N; Carlier PR
J Org Chem; 2010 Feb; 75(4):1061-9. PubMed ID: 20102232
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]