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Catalogue of abstracts / CHEMICAL SCIENCES / organic chemistry
Total work:38
1 ФТАЛОЦИАНИНЫ, АННЕЛИРОВАННЫЕ ЗАМЕЩЕННЫМИ АРОМА-ТИЧЕСКИМИ И ГЕТЕРОЦИКЛИЧЕСКИМИ ХИНОНАМИ. СИНТЕЗ И СВОЙСТВА
2 Современные тенденции развития ассортимента текстильной промышленности
3 ВИКОРИСТАННЯ РІЗНИХ ДОЗ АЗОТНИХ ДОБРИВ І БАКТЕРІАЛЬНИХ ПРЕПАРАТІВ ПРИ ВИРОЩУВАННІ СОЇ НА ЧОРНОЗЕМІ ОПІДЗОЛЕНОМУ В УМОВАХ ПРАВОБЕРЕЖНОГО ЛІСОСТЕПУ УКРАЇНИ
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 The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
8 The Isomerization Barrier in Cyanocyclobutadienes: An ab Initio Multireference Average Quadratic Coupled Cluster Study
9 The Dissociation of Diacetyl: A Shock Tube and Theoretical Study
10 Study of KrO- and KrO via Slow Photoelectron Velocity-Map Imaging Spectroscopy and ab Initio Calculations
11 Spectroscopic Investigation of the Molecular Vibrations of 1,4-Dihydronaphthalene in Its Ground and Excited Electronic States
12 Solvation and Hydrogen Bonding in Alanine- and Glycine-Containing Dipeptides Probed Using Solution- and Solid-State NMR Spectroscopy
13 Perspectives on Computational Organic Chemistry
14 On the Role of the Dipole and Quadrupole Moments of Aromatic Compounds in the Solvation by Ionic Liquids
15 Nonadiabatic Ab Initio Multichannel Quantum Defect Theory Applied to Absolute Experimental Absorption Intensities in H2
16 Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D3
17 Itinerant Flat-Band Magnetism in Hydrogenated Carbon Nanotubes
18 Ionic Liquids Formed with Polycyano 1,1,3,3-Tetracyanoallyl Anions: Substituent Effects of Anions on Liquid Properties
19 Information Content in O[1s] K-edge X-ray Emission Spectroscopy of Liquid Water
20 Ibon Alkorta,*,† Fernando Blanco,† Jose´ Elguero,† Jose´ A. Dobado,‡ Santiago Melchor Ferrer,‡ and Isaac Vidal
21 Hydrogen-Bonding-Assisted Self-Doping in Tetrathiafulvalene (TTF) Conductor
22 Hydrogen-Bonded Complexes of Phenylacetylene with Water, Methanol, Ammonia, and Methylamine. The Origin of Methyl Group-Induced Hydrogen Bond Switching
23 Hydrogen Bonding to Alkanes: Computational Evidence
24 H-Spillover through the Catalyst Saturation: An Ab Initio Thermodynamics Study
25 Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials
26 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
27 Dissociative Photoionization of X(CH3)3 (X ) N, P, As, Sb, Bi): Mechanism, Trends, and Accurate Energetics
28 Detecting Weak Interactions between Au- and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study
29 Correlations between Carbene and Carbenium Stability: Ab Initio Calculations on Substituted Phenylcarbenes, Nonbenzenoid Arylcarbenes, Heteroatom-Substituted Carbenes, and the Corresponding Carbocations and Hydrogenation Products†
30 Characterizing Complexes with F-Li+-F Lithium Bonds: Structures, Binding Energies, and Spin-Spin Coupling Constants
31 Beryllium(II): The Strongest Structure-Forming Ion in Water? A QMCF MD Simulation Study
32 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
33 Ammonia-Water Cation and Ammonia Dimer Cation
34 Ab Initio Reaction Path Analysis for the Initial Hydrogen Abstraction from Organic Acids by Hydroxyl Radicals
35 Ab Initio Reaction Path Analysis for the Initial Hydrogen Abstraction from Organic Acids by Hydroxyl Radicals
36 Ab Initio Modeling of Proton Transfer in Phosphoric Acid Clusters
37 Ab Initio Calculation of the Photoelectron Spectra of the Hydroxycarbene Diradicals
38 Ab initio and homology based prediction of protein domains by recursive neural networks