Keywords: مجتمع های مولکولی; Hydrogen bond; Isotopic effects; Molecular beams; Molecular complexes; Molecular dynamics;
مقالات ISI مجتمع های مولکولی (ترجمه نشده)
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Keywords: مجتمع های مولکولی; Hydrogen bond; Molecular complexes; Infrared spectroscopy; Raman spectroscopy; UV spectroscopy;
Keywords: مجتمع های مولکولی; Hydrazine clusters; Molecular complexes; Aerosol nucleation; Hydrogen bond;
Keywords: مجتمع های مولکولی; Positronium formation; Molecular complexes; Low temperature
Keywords: مجتمع های مولکولی; Ab initio calculations; Molecular complexes; Boron trifluoride; Nitrosyl halides
Keywords: مجتمع های مولکولی; Formaldoxime; Ammonia; Hydrogen bond; Matrix isolation; ab initio calculations; Molecular complexes
BODIPY dyes in bio environment: Spectral characteristics and possibilities for practical application
Keywords: مجتمع های مولکولی; BODIPY; Bovine serum albumin (BSA); Molecular docking; Molecular complexes; Stern-Volmer equation; FRET;
Hydrogen bond docking preference in furans: OH â¯Â Ï vs. OH â¯Â O
Keywords: مجتمع های مولکولی; Molecular complexes; Hydrogen bond; Infrared spectroscopy; Heteroaromatic compounds; Docking preference;
Structural and spectroscopic characterization of DMF complexes with nitrogen, carbon dioxide, ammonia and water. Infrared matrix isolation and theoretical studies
Keywords: مجتمع های مولکولی; N,N-dimethylformamide; Hydrogen bond; Van der Waals interaction; Matrix isolation; Ab initio calculations; Molecular complexes;
FTIR study of hydrogen bonding interaction between fluorinated alcohol and unsaturated esters
Keywords: مجتمع های مولکولی; Hydrogen bond; Molecular complexes; Red shift; AIM; Energy decomposition analysis;
Supramolecular structure formation of molecular copper(II)methylsalicylate complexes with nicotinamide or methylnicotinamide – Crystal structure and spectral properties
Keywords: مجتمع های مولکولی; Molecular complexes; Hydrogen bonds; Crystal structure; Supramolecular structure; Spectral properties
IR spectroscopic study of the HClâ¯O3 molecular complex in liquid argon
Keywords: مجتمع های مولکولی; Ozone; Hydrogen chloride; Cryospectroscopy; FT-IR spectroscopy; Molecular complexes;
Adducts of alcohols with ketones: A rotational study of the molecular complex Ethylalcohol-Cyclobutanone
Keywords: مجتمع های مولکولی; Rotational spectroscopy; Supersonic expansion; Hydrogen bond; Molecular complexes; Ubbelohde effect;
Interaction of N-hydroxyurea with strong proton donors: HCl and HF
Keywords: مجتمع های مولکولی; N-hydroxyurea; Hydrogen halide; Hydrogen bond; Matrix isolation; Ab initio calculations; Molecular complexes;
The rotational spectrum of formic acidâ¯fluoroacetic acid
Keywords: مجتمع های مولکولی; Rotational spectroscopy; Supersonic expansion; Strong hydrogen bond; Molecular complexes; Ubbelohde effect;
Magnetic properties of the fullerene organic compounds in strong magnetic fields
Keywords: مجتمع های مولکولی; Fullerene; Molecular complexes; Magnetic properties; Anomalous paramagnetic centers
Ab initio studies of some hydrogen-bonded complexes of fluoroform – Evidence for blue-shifted behaviour
Keywords: مجتمع های مولکولی; Ab initio; Molecular complexes; Hydrogen bonding; Molecular structures; Interaction energies; Vibrational spectra
Structure and photochemistry of nitrous acid–methanethiol complexes in solid argon
Keywords: مجتمع های مولکولی; Hydrogen bond; Molecular complexes; Photochemistry; Matrix isolation; Theoretical calculations; Methanethiol
Biomimetic molecular water splitting catalysts for hydrogen generation
Keywords: مجتمع های مولکولی; Water splitting; Renewable energy; Oxygen evolving catalyst; Molecular complexes; Proton coupled electron transfer
Formation of coordination polymer and molecular complex of 4,4′-bipyridyl-N,N′-dioxide of manganese and zinc
Keywords: مجتمع های مولکولی; Molecular complexes; Coordination polymer; 4,4′-Bipyridyl-N,N′-dioxide; Crystal structure
Short range interactions in molecular complexes of 1,4-benzenediboronic acid with aromatic N-oxides
Keywords: مجتمع های مولکولی; Diboronic acid; Aromatic N-oxide; Molecular complexes; Weak interactions; Energy calculations;
Charge–transfer complexes of pyrimidine Schiff bases with aromatic nitro compounds
Keywords: مجتمع های مولکولی; Charge–transfer complexes; Pyrimidine Schiff bases; Spectroscopy; Donor–acceptor interaction; Molecular complexes
Infrared matrix-isolation studies of the CS2···HCl molecular complex
Keywords: مجتمع های مولکولی; Matrix-isolation; FTIR; Molecular complexes;
Conformation, structure, quadrupole coupling constants and van der Waals potential energy surface of dichloromethane–Ar
Keywords: مجتمع های مولکولی; Rotational spectroscopy; Molecular complexes; Large amplitude motions; Pulsed jets; Argon
An ab initio molecular orbital study of the complexes formed between silicon tetrafluoride and some Lewis bases
Keywords: مجتمع های مولکولی; Ab initio calculations; Molecular complexes; Molecular structures; Interaction energies; Vibrational spectra; Silicon tetrafluoride;
DFT approach to reaction mechanisms through molecular complexes. The case of an organo-catalysed nucleosidation reaction
Keywords: مجتمع های مولکولی; Organic catalysis; Nucleosides; Thiophilic agents; Reaction mechanisms; Molecular complexes; DFT calculations;
Fourier transform microwave spectrum of difluoromethane-Xe
Keywords: مجتمع های مولکولی; Rotational spectroscopy; Molecular complexes; Large amplitude motions; Quadrupole coupling: pulsed jets; Xenon;
Ab initio molecular orbital calculations of the structures and vibrational spectra of some molecular complexes containing sulphur dioxide
Keywords: مجتمع های مولکولی; Sulphur dioxide; Molecular complexes; Molecular structures; Interaction energies; Vibrational spectra
Noncovalent interactions and coordination reactions in the systems consisting of copper(II) ions, aspartic acid and diamines
Keywords: مجتمع های مولکولی; Copper(II); Aspartic acid; Diamine; Molecular complexes; Mixed complexes
Structural properties of CH3CN–SO2 in the gas phase and condensed-phase media via density functional theory and infrared spectroscopy
Keywords: مجتمع های مولکولی; Matrix isolation; Medium effects; Molecular complexes
Fourier transform microwave spectrum of pyridine-neon
Keywords: مجتمع های مولکولی; Rotational spectroscopy; Molecular complexes; Large amplitude motions; Free jets; Neon;
The solid-state structures of para-sulphonatocalix[4]arene with the biologically active oligoammonium cations of norspermidine and triethyltetramine
Keywords: مجتمع های مولکولی; Para-Sulphonatocalix[4]arene; Organic cations; Molecular complexes; Host–guest interactions
VUV irradiation of carbon dioxide (CO2) and ammonia (NH3) complexes in argon matrix
Keywords: مجتمع های مولکولی; Matrix isolation; FTIR spectroscopy; Photochemistry; Carbamic acid; Molecular complexes;
The vibrational spectra of the boron halides and their molecular complexes: Part 10. The complexes of boron trifluoride with ammonia and its methyl derivatives. An ab initio study
Keywords: مجتمع های مولکولی; Ab initio calculations; Molecular complexes; Boron trifluoride; Ammonia; Methyl amine; Dimethyl amine; Trimethyl amine; Molecular structures; Interaction energies; Vibrational spectra
The role of dispersion correction to DFT for modelling weakly bound molecular complexes in the ground and excited electronic states
Keywords: مجتمع های مولکولی; Dispersion interaction; Molecular complexes; DFT-D;
Preparation of the novel XC(O)SeX species (XÂ =Â Cl, Br) through matrix photochemical reactions of OCSe with Cl2 and Br2 at cryogenic temperatures
Keywords: مجتمع های مولکولی; Matrix isolation; Computational chemistry; Chlorocarbonylselenyl chloride; Bromocarbonylselenyl bromide; Molecular complexes;
A comparative ab initio study of SF6â¯Xâ and CF4â¯Xâ complexes (X = H, F, Cl, CN, NC, N3 and NCO)
Keywords: مجتمع های مولکولی; Ab initio calculations; AIM methodology; Molecular complexes;
Ab initio calculations of some weakly bound dimers and complexes: II. The complexes of carbon dioxide with water and hydrogen sulphide
Keywords: مجتمع های مولکولی; Molecular complexes; Ab initio calculations; Interaction energies; Structures; Vibrational spectra; Carbon dioxide; Water; Hydrogen sulphide;
The vibrational spectra of the boron halides and their molecular complexes. Part 9. Ab initio studies of the complexes of boron trifluoride with methanol, methanethiol and some related bases
Keywords: مجتمع های مولکولی; Ab initio calculations; Molecular complexes; Boron trifluoride; Methanol; Methanethiol; Molecular structures; Interaction energies; Vibrational spectra
Experimental configuration, F-F spin-spin coupling, and potential energy surface of difluoromethane-Ar
Keywords: مجتمع های مولکولی; Rotational spectroscopy; Molecular complexes; Large amplitude motions; Free jets; Argon;
Spectroscopic and conductometric studies of molecular complex formation between 2,4,6-trinitrophenol and diaza-18-crown-6, tetraaza-14-crown-4 and cryptand C222 in 1,2-dichloroethane solution
Keywords: مجتمع های مولکولی; Azamacrocycles; 2,4,6-Trinitrophenol; Molecular complexes; Proton transfer; Spectroscopy; Conductometry
Molecular complexes of octafluoronaphthalene with catenated chalcogen–nitrogen compounds C6H5–X–NSN–SiMe3 (X = S, Se)
Keywords: مجتمع های مولکولی; Octafluoronaphthalene; Chalcogen–nitrogen compounds; Molecular complexes; π-Stacking interactions; X-ray structure determination
The structures of some dimers of carbon monoxide—an infrared matrix isolation spectroscopic and ab initio molecular orbital study
Keywords: مجتمع های مولکولی; Matrix isolation; Ab initio; Molecular complexes; Carbon monoxide
Thermodynamic properties for intermolecular complexes of zinc(II)tetra-tert-butyl-phthalocyanine with ligands
Keywords: مجتمع های مولکولی; Molecular complexes; Thermodynamics; Metallophthalocyanine; Correlation “structure-property”
The conformation of the hydrogen bonded complex cyclohexene oxideâ¯HCl: A rotational study
Keywords: مجتمع های مولکولی; Hydrogen bond; Molecular complexes; Supersonic jets; Microwave spectroscopy;
Conformational preferences of the structures, and energetics of the molecular complexes of boron trifluoride with some hydrogen halides, halogens and interhalogens
Keywords: مجتمع های مولکولی; Ab initio calculations; Molecular complexes; Boron trifluoride; Hydrogen halides; Halogens; Interhalogens; Conformational studies;
The Fourier transform rotational spectrum of difluoromethane-water: internal motion of water
Keywords: مجتمع های مولکولی; Molecular beams; Molecular complexes; Molecular dynamics; Hydrogen bonding; Rotational spectroscopy;
Spectrophotometric studies of molecular complex formation between water-soluble cobalt(II) Schiff base complex and nucleotides in mixed solvent systems
Keywords: مجتمع های مولکولی; Water-soluble cobalt(II) Schiff base complex; Nucleotides; Molecular complexes; Formation constant; Mixed solvent systems;
1:1 Complexes of octafluoronaphthalene with trans-stilbene and trans-azobenzene
Keywords: مجتمع های مولکولی; Arene-perfluoroarene interactions; Crystal structure; Disorder; Octafluoronaphthalene; Molecular complexes;
Ab initio molecular orbital studies of the vibrational spectra of some van der Waals complexes. Part 3: Complexes of carbon monoxide with carbon dioxide, nitrous oxide, carbonyl sulphide and carbon disulphide
Keywords: مجتمع های مولکولی; Ab initio; Molecular complexes; Structures; Interaction energies; Vibrational spectra;