AEI: Exploring solvent effects and mechanisms for organic reactions using computational methods

被引:0
|
作者
Acevedo, O [1 ]
Jorgensen, WL [1 ]
机构
[1] Yale Univ, Dept Chem, New Haven, CT 06520 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
210-COMP
引用
收藏
页码:U1351 / U1351
页数:1
相关论文
共 50 条
  • [21] Lithium Cuprate Coupling Reactions: Evaluation of Computational Methods for Determination of the Reaction Mechanisms
    Pratt, Lawrence M.
    Voit, Stewart
    Mai, Binh Khanh
    Nguyen, BichLien H.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (14): : 5005 - 5015
  • [23] Experimental and computational studies on solvent effects in reactions of peracid-aldehyde adducts
    Lehtinen, C
    Nevalainen, V
    Brunow, G
    TETRAHEDRON, 2001, 57 (22) : 4741 - 4751
  • [24] Computational study of mechanisms in catalysis using metal organic frameworks
    Gaggioli, Carlo Alberto
    Scott, Thais
    Gagliardi, Laura
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
  • [25] Radical Reactions in Organic Synthesis: Exploring in-, on-, and with-Water Methods
    Chatgilialoglu, Chryssostomos
    Barata-Vallejo, Sebastian
    Gimisis, Thanasis
    MOLECULES, 2024, 29 (03):
  • [26] Exploring the reactivity of chlorinated aliphatic compounds using computational methods.
    Butler, EC
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 219 : U631 - U632
  • [27] MECHANISMS OF REACTIONS OF IRON(III) PORPHYRINS WITH HYDROGEN-PEROXIDE AND HYDROPEROXIDES - SOLVENT AND SOLVENT ISOTOPE EFFECTS
    TRAYLOR, TG
    XU, F
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1990, 112 (01) : 178 - 186
  • [28] MECHANISMS OF PHOTOCHEMICAL REACTIONS IN SOLUTION .37. SOLVENT EFFECTS IN PHOTOLYSIS OF TETRAMETHYLOXETHANONE
    WAGNER, PJ
    STOUT, CA
    SEARLES, S
    HAMMOND, GS
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (06) : 1242 - &
  • [29] Using biological knowledge in computational methods to discover mechanisms of transcription regulation
    Martin, D.
    Portales-Casamar, E.
    Kirov, S.
    Lim, J.
    Brumm, J.
    Snoddy, J.
    Wasserman, W. W.
    PROCEEDINGS OF THE FIFTH INTERNATIONAL CONFERENCE ON BIOINFORMATICS OF GENOME REGULATION AND STRUCTURE, VOL 3, 2006, : 319 - 319
  • [30] Teaching organic reactions using computational chemistry: I. Electrophilic addition reactions to alkenes
    Mariano, Arquimedes
    Ventura, Elizete
    do Monte, Silmar A.
    Braga, Claudia F.
    Carvalho, Antonio B.
    Araujo, Regiane C. M. U.
    Santana, Otavio L.
    QUIMICA NOVA, 2008, 31 (05): : 1243 - 1249