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JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY
Rivista
Codice:
E093274
ISSN:
1089-5639
Dati Generali
Dati Generali
Pubblicazioni (31)
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Ab initio exploration of rearrangement reactions: Intramolecular hydrogen scrambling processes in acetone
Articolo
Alkylation of Phenol: A Mechanistic View
Articolo
Anisotropy and Size Effects on the Optical Spectra of Polycyclic Aromatic Hydrocarbons
Articolo
Apolar versus Polar Solvents: A Comparison of the Strength of Some Organic Acids againstDifferent Bases in Toluene and in Water
Articolo
Assessment of σ-diatropicity of the cyclopropane molecule
Articolo
Bifurcated hydrogen bond in lithium nitrate trihydrate probed by ab initio molecular dynamics
Articolo
Characterization of Molybdenum Dithiocarbamates by First-Principles Calculations
Articolo
Correlation between the out-of-Plane Components of Magnetizability and Central Magnetic Shielding in Unsaturated Cyclic Molecules
Articolo
Crystallization Kinetics of Bioactive Glasses in the ZnO-Na2O-CaO-SiO2 System
Articolo
DFT and TD-DFT assessment of the structural and optoelectronic properties of an organic-Ag14 nanocluster
Articolo
Delocalized Currents without a Ring of Bonded Atoms: Strong Delocalized Electron Currents Induced by Magnetic Fields in Noncyclic Molecules
Articolo
Development and Application of a ReaxFF Reactive Force Field for Cerium Oxide/Water Interfaces
Articolo
Dissociation Dynamics of Asymmetric Alkynyl(Aryl)Iodonium Radicals: An ab Initio DRC Approach to Predict the Surface Functionalization Selectivity
Articolo
Excitation energy transfer in ion pairs of polymethine cyanine dyes: Efficiency and dynamics
Articolo
Excited-State Dynamics of bis-dehydroxycurcumin Carboxylic Acid, a Water-Soluble Derivative of the Photosensitizer Curcumin.
Articolo
Exciton-like and charge-transfer states in cyanine-oxonol ion pairs. An experimental and theoretical study
Articolo
First- and Second-Order Polarizabilities of Simple Merocyanines. An Experimental and Theoretical Reassessment of the Two-Level Model
Articolo
High-resolution mapping of the electrostatic potential in organic thin-film transistors by phase electrostatic force microscopy
Articolo
Induced orbital paramagnetism and paratropism inclosed-shell molecules
Articolo
Methane Activation by Transition-Metal Oxides, MOx (M=Cr, Mo, W; x=1,2,3)
Articolo
Optical properties of isolated and covalent organic framework-embedded ruthenium complexes
Articolo
Optoelectronic Properties of Natural Cyanin Dyes
Articolo
Photon statistics of resonance fluorescence in the limit of separated spectral lines
Articolo
Polygonal Current Model: An Effective Quantifier of Aromaticity on the Magnetic Criterion
Articolo
Predicting autoxidation stability of ether- and amide-based electrolyte solvents for Li-air batteries
Articolo
Real-Time Growth Kinetics Analysis of Macromolecular Assemblies in Cells with Single Molecule Resolution
Articolo
Ring currents and magnetic properties of s-indacene, an archetypal paratropic, non-antiaromatic molecule
Articolo
Spatial ring current model for the prismane molecule
Articolo
Spatial ring current model of the [2.2]paracyclophane molecule
Articolo
Stability of Lithium Superoxide LiO(2) in the Gas Phase: Computational Study of Dimerization and Disproportionation Reactions
Articolo
The Fundamental and Underrated Role of the Base Electrolyte in the Polymerization Mechanism. The Resorcinol Case Study
Articolo
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