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Каталог авторефератов / ХИМИЧЕСКИЕ НАУКИ / Органическая химия
Всего работ:38
21 The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
22 Characterizing Complexes with F-Li+-F Lithium Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants
23 The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
24 The Dissociation of Diacetyl: A Shock Tube and Theoretical Study
25 Correlations between Carbene and Carbenium Stability: Ab Initio Calculations on Substituted Phenylcarbenes, Nonbenzenoid Arylcarbenes, Heteroatom-Substituted Carbenes, and the Corresponding Carbocations and Hydrogenation Products†
26 H-Spillover through the Catalyst Saturation: An Ab Initio Thermodynamics Study
27 Hydrogen Bonding to Alkanes: Computational Evidence
28 Beryllium(II): The Strongest Structure-Forming Ion in Water? A QMCF MD Simulation Study
29 Perspectives on Computational Organic Chemistry
30 Energy Barriers for the Addition of H, C˙ H3, and C˙ 2H5 to CH2dCHX [X ) H, CH3, OH] and for H-Atom Addition to RCHdO [R ) H, CH3, C˙ 2H5, n-C3H7]: Implications for the Gas-Phase Chemistry of Enols