органічна хімія


Загалом робіт: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

11 On the Role of the Dipole and Quadrupole Moments of Aromatic Compounds in the Solvation by Ionic Liquids

12 Hydrogen-Bonding-Assisted Self-Doping in Tetrathiafulvalene (TTF) Conductor

13 Ab initio and homology based prediction of protein domains by recursive neural networks

14 Evidence for electronic gap-driven metal-semiconductor transition in phase-change materials

15 Nonadiabatic Ab Initio Multichannel Quantum Defect Theory Applied to Absolute Experimental Absorption Intensities in H2

16 Itinerant Flat-Band Magnetism in Hydrogenated Carbon Nanotubes

17 Detecting Weak Interactions between Au- and Gas Molecules: A Photoelectron Spectroscopic and Ab Initio Study

18 Solvation and Hydrogen Bonding in Alanine- and Glycine-Containing Dipeptides Probed Using Solution- and Solid-State NMR Spectroscopy

19 Ammonia-Water Cation and Ammonia Dimer Cation

20 Ab Initio Reaction Path Analysis for the Initial Hydrogen Abstraction from Organic Acids by Hydroxyl Radicals

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

31 Dissociative Photoionization of X(CH3)3 (X ) N, P, As, Sb, Bi): Mechanism, Trends, and Accurate Energetics

32 Ionic Liquids Formed with Polycyano 1,1,3,3-Tetracyanoallyl Anions: Substituent Effects of Anions on Liquid Properties

33 Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D3

34 Hydrogen-Bonded Complexes of Phenylacetylene with Water, Methanol, Ammonia, and Methylamine. The Origin of Methyl Group-Induced Hydrogen Bond Switching

35 Spectroscopic Investigation of the Molecular Vibrations of 1,4-Dihydronaphthalene in Its Ground and Excited Electronic States

36 Современные тенденции развития ассортимента текстильной промышленности

37 ВИКОРИСТАННЯ РІЗНИХ ДОЗ АЗОТНИХ ДОБРИВ І БАКТЕРІАЛЬНИХ ПРЕПАРАТІВ ПРИ ВИРОЩУВАННІ СОЇ НА ЧОРНОЗЕМІ ОПІДЗОЛЕНОМУ В УМОВАХ ПРАВОБЕРЕЖНОГО ЛІСОСТЕПУ УКРАЇНИ

38 ФТАЛОЦИАНИНЫ, АННЕЛИРОВАННЫЕ ЗАМЕЩЕННЫМИ АРОМА-ТИЧЕСКИМИ И ГЕТЕРОЦИКЛИЧЕСКИМИ ХИНОНАМИ. СИНТЕЗ И СВОЙСТВА


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Доставка любой диссертации из России и Украины


ОСТАННІ СТАТТІ ТА АВТОРЕФЕРАТИ

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