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Catalogue of abstracts / CHEMICAL SCIENCES / organic chemistry
Total work:38
1 Ab Initio Calculation of the Photoelectron Spectra of the Hydroxycarbene Diradicals
2 Information Content in O[1s] K-edge X-ray Emission Spectroscopy of Liquid Water
3 Ab Initio Reaction Path Analysis for the Initial Hydrogen Abstraction from Organic Acids by Hydroxyl Radicals
4 Theoretical Study of Photophysical Properties of Bisindolylmaleimide Derivatives
5 Theoretical Study of 1Σ+ States of Alkali Hydride XH Molecule (X ) Na, K and Rb) in Adiabatic and Nonadiabatic Representations
6 Theoretical Study of 1Σ+ States of Alkali Hydride XH Molecule (X ) Na, K and Rb) in Adiabatic and Nonadiabatic Representations
7 Ibon Alkorta,*,† Fernando Blanco,† Jose´ Elguero,† Jose´ A. Dobado,‡ Santiago Melchor Ferrer,‡ and Isaac Vidal
8 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
9 Ab Initio Modeling of Proton Transfer in Phosphoric Acid Clusters
10 Study of KrO- and KrO via Slow Photoelectron Velocity-Map Imaging Spectroscopy and ab Initio Calculations