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Каталог авторефератов / ХИМИЧЕСКИЕ НАУКИ / Органическая химия
Всего работ:38
1 Ab initio and homology based prediction of protein domains by recursive neural networks
2 Ab Initio Calculation of the Photoelectron Spectra of the Hydroxycarbene Diradicals
3 Ab Initio Modeling of Proton Transfer in Phosphoric Acid Clusters
4 Ab Initio Reaction Path Analysis for the Initial Hydrogen Abstraction from Organic Acids by Hydroxyl Radicals
5 Ab Initio Reaction Path Analysis for the Initial Hydrogen Abstraction from Organic Acids by Hydroxyl Radicals
6 Ammonia-Water Cation and Ammonia Dimer Cation
7 Benchmark Thermochemistry of the CnH2n+2 Alkane Isomers (n ) 2-8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria
8 Beryllium(II): The Strongest Structure-Forming Ion in Water? A QMCF MD Simulation Study
9 Characterizing Complexes with F-Li+-F Lithium Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants
10 Correlations between Carbene and Carbenium Stability: Ab Initio Calculations on Substituted Phenylcarbenes, Nonbenzenoid Arylcarbenes, Heteroatom-Substituted Carbenes, and the Corresponding Carbocations and Hydrogenation Products†