Keywords: بسته بندی کریستال; Nickel; Linear trinuclear compounds; Tetradentate Schiff bases; X-ray crystal structure; DFT calculations; Crystal packing;
مقالات ISI بسته بندی کریستال (ترجمه نشده)
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Keywords: بسته بندی کریستال; Singlet fission; Exciton; Energy level matching; Diradical character; Electronic coupling; Vibronic coupling; Exciton-phonon coupling; Quantum master equation; Relaxation; Spectral density; Design guideline; pentacene; Organic photovolatic cell; Photoel
Keywords: بسته بندی کریستال; Crystal packing; Raman; Thermal; Z-scan; Optical limiting
Keywords: بسته بندی کریستال; Water/anion-water cluster; Hydrogen/halogen bond; Tripodal ligand; Ligand structure effect; Crystal packing; Thermal analysis
Keywords: بسته بندی کریستال; Amyloidosis inhibition; Natural polyphenols; High pH transthyretin binding; Crystal polymorphism; Crystal packing; Transthyretin asymmetry;
Keywords: بسته بندی کریستال; Diarylethene; Crystal packing; X-ray; FT-IR
Keywords: بسته بندی کریستال; Layered silicates; Conjugated dyes; Crystal packing; Photoluminescence; Modelling; Intercalation;
Keywords: بسته بندی کریستال; Timolol; Solubility; X-ray diffraction; DSC; Chirality driven crystallization; Crystal packing
Keywords: بسته بندی کریستال; Pyrene; 4-Hydroxythiazole; Fluorescence; Solid-state; X-ray structure; Crystal packing
Keywords: بسته بندی کریستال; Hydrogen bonding; Carrier systems; DFT; Crystal packing; X-ray studies;
Keywords: بسته بندی کریستال; Azaacene; Diene; Dienophile; Cycloaddition reaction; Crystal packing;
Keywords: بسته بندی کریستال; solubility; crystal packing; calorimetry; hydration; log P; thermodynamics; drug design;
Keywords: بسته بندی کریستال; Schiff bases; X-ray structures; Crystal packing; Inductive electronic effects; Electrochemistry;
Conformational flexibility and packing plausibility of repaglinide polymorphs
Keywords: بسته بندی کریستال; Repaglinide; Polymorphs; Crystal structure; Conformational analysis; Crystal packing; Crystal energy landscape;
Crystallization features and spontaneous resolution of 3-(2,6-dimethoxyphenoxy)propane-1,2-diol: The case of stable conglomerate and metastable solid solution
Keywords: بسته بندی کریستال; Aryl glycerol ethers; Single crystal X-ray analysis; Crystal packing; Racemic conglomerate; Preferential crystallization; Metastable solid solution;
Structures of (2E,5E)-2-(4-cyanobenzylidene)-5-(4-dimethylaminobenzylidene)cyclopentanone and (2E,5E)-2-benzylidene-5-cinnamylidenecyclopentanone
Keywords: بسته بندی کریستال; 2,5-Diarylidenecyclopentanone; X-ray crystal structure; DFT; Crystal packing; Spectroscopic; Photophysical;
Synthesis, characterization and crystal structure of 6-Chloro-4,4′-dimethyl-2,2′-bipyridine and 4,4′-Dimethyl 2,2′-bipyridine N-Oxide
Keywords: بسته بندی کریستال; Bipyridines; Crystal packing; Unconventional hydrogen bonds; Hirshfeld surfaces; Single crystal diffraction
New example of spontaneous resolution among aryl glycerol ethers: 3-(2,6-dichlorophenoxy)propane-1,2-diol
Keywords: بسته بندی کریستال; Aryl glycerol ethers; Racemic conglomerate; Preferential crystallization; Solubility; Single crystal X-ray analysis; Crystal packing
Encapsulation of CO2 into amorphous alpha-cyclodextrin powder at different moisture contents – Part 2: Characterization of complexed powders and determination of crystalline structure
Keywords: بسته بندی کریستال; Carbon dioxide; Crystal packing; Complexed powder; Amorphous α-cyclodextrin; Solid encapsulation
Conformational and structural studies of meso monosubstituted metalloporphyrins-Edge-on molecular interactions of porphyrins in crystals
Keywords: بسته بندی کریستال; Porphyrins; Conformational analysis; Tetrapyrroles; Crystal structure; Crystal packing;
Structural features, thermal behavior and biological activities of two new organically templated (CoII, NiII) sulfates
Keywords: بسته بندی کریستال; Crystal packing; Intermolecular interactions; Lamellar structure; Supramolecular assembly; Biological activities;
Conformational analysis of an octahedral zinc(II) complex with six dimethylsulfoxide
Keywords: بسته بندی کریستال; Octahedral zinc(II) complex; Dimethylsulfoxide (DMSO) complex; Crystal structure; Conformational analysis; Crystal packing;
Heterometallic coordination framework by sodium carboxylate subunits and cobalt (III) centers obtained from a highly hydrogen bonding stabilized cobalt (II) monomeric complex
Keywords: بسته بندی کریستال; Pseudosymmetry; Metal–organic frameworks; Hydrogen bonding; Theoretical calculations; Crystal engineering; Crystal packing
New crystal packing arrangements in radical cation salts of BEDT-TTF with [Cr(NCS)6]3â and [Cr(NCS)5(NH3)]2â
Keywords: بسته بندی کریستال; BEDT-TTF; Chromium complexes; Crystal packing; Radical cation salts; Electrocrystallisation;
Multiple binding modes of a small molecule to human Keap1 revealed by X-ray crystallography and molecular dynamics simulation
Keywords: بسته بندی کریستال; DTT; dithiothreitol; Keap1; Kelch-like ECH-associated protein 1; MD; molecular dynamics; Nrf2; Nuclear factor erythroid 2-related factor 2; PDB; Protein Data Bank; Oxidative stress; Antioxidant response; β-Propeller; Crystal packing; Fragment-based drug
First X-ray crystallographic study of a meso-substituted tetrabenzotriazaporphyrin: Structural effect of a meso-aryl unit on 27-(2-methylphenyl)tetrabenzotriazaporphyrinato zinc example in comparison with zinc phthalocyaninate
Keywords: بسته بندی کریستال; Tetrabenzotriazaporphyrins; Phthalocyanines; XRD crystallography; π–π interactions; Crystal packing; UV–Vis spectroscopy
Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes
Keywords: بسته بندی کریستال; Organotin(IV)-phosphoramide complexes; Hirshfeld surfaces; Two-dimensional fingerprint plots; Crystal packing
Metal-mediated crystallization of the xylose transporter XylE from Escherichia coli in three different crystal forms
Keywords: بسته بندی کریستال; GLUT transporter; Membrane protein crystallization; Metal binding; Cadmium; Crystal packing; Diffraction anisotropy; Protein engineering;
Crystal structures of 26Â kDa Clonorchis sinensis glutathione S-transferase reveal zinc binding and putative metal binding
Keywords: بسته بندی کریستال; CsGST; CsGST-D26H mutant; Zinc coordination; Crystal structure; Crystal packing;
Synthesis, crystal structure and photophysical properties of 5-mono- and 5,9-bis-(arylethynyl)-functionalized pyrenes
Keywords: بسته بندی کریستال; Pyrenes; Wittig reaction; Phenylethynyl group; Crystal packing; Solvatochromic effect; Fluorescence emission properties;
Organic crystals bearing both channels and cavities formed from tripodal adamantane molecules
Keywords: بسته بندی کریستال; Adamantane; Tripodal molecule; Channel structure; Cavity; Crystal packing
Crystal structure of iodoform at 106 K and of the adduct CHI3⋅3(C9H7N). Iodoform as a building block of co-crystals
Keywords: بسته بندی کریستال; Low temperature crystal structure; Halogen bonding; Weak interactions; Crystal packing
Phase behavior and crystal structure of 3-(1-naphthyloxy)- and 3-(4-indolyloxy)-propane-1,2-diol, synthetic precursors of chiral drugs propranolol and pindolol
Keywords: بسته بندی کریستال; Propranolol; Pindolol; Thermochemical data; Single crystal X-ray analysis; Chirality driven crystallization; Crystal packing
Pyrazolopyridine inhibitors of B-RafV600E. Part 3: An increase in aqueous solubility via the disruption of crystal packing
Keywords: بسته بندی کریستال; B-RafV600E; Aqueous solubility; Single-crystal X-ray; Crystal packing; Crystal lattice energy;
Synthesis and crystal structures of 3-alkyl-2,4-pentanedionates and 3-phenyl-2,4-pentanedionate of palladium
Keywords: بسته بندی کریستال; Palladium acac; Palladium pentane-2,4-dionate; 3-Alkylpentane-2,4-dione; 3-Arylpentane-2,4-dione; Crystal packing
Pores of the toxin FraC assemble into 2D hexagonal clusters in both crystal structures and model membranes
Keywords: بسته بندی کریستال; DOPC, 1,2-dioleoyl-sn-glycero-3-phosphatidylcholinePore-forming toxins; Actinoporins; Crystal packing; Rotational disorder; Clusters
Z-score biological significance of binding hot spots of protein interfaces by using crystal packing as the reference state
Keywords: بسته بندی کریستال; Binding hot spots; Crystal packing; Z-score biological significance
A structural and spectroscopic study of tris-aryl substituted R3PI2 adducts
Keywords: بسته بندی کریستال; Phosphines; Charge transfer adducts; Iodine; Ligand conformation; Crystal packing
Crystal structure of hydrates of imidazolium salts
Keywords: بسته بندی کریستال; X-ray diffraction; Crystal packing; H-bonding network; Imidazolium salts
The structure of a full turn of an A-DNA duplex d(CGCGGGTACCCGCG)2
Keywords: بسته بندی کریستال; Crystal structure; Tetra-decanucleotide; A-DNA duplex; Alternating sequence and structure; Crystal packing
Crystal packing in a solvent-free or chloroform-solvated dinuclear platinum(III) organometallic complex
Keywords: بسته بندی کریستال; Platinum; Cyclometallation; Crystal packing; X-ray structure
X-ray crystallography and computational studies of a variety of pyrrole derivatives obtained from mesoionic oxazoles and selected chromenones
Keywords: بسته بندی کریستال; Coumarins; Chromenones; X-ray analysis; Crystal packing; DFT calculations; CNâ¯Ï-interaction;
Aggregation of fluorine-substituted pyridines
Keywords: بسته بندی کریستال; Fluoropyridine; Crystal packing; Molecule aggregation; In situ crystallisation
The crystal packing modes of butane-1,4-diamine salts with acetic, di- and trichloroacetic acids at 100Â K
Keywords: بسته بندی کریستال; Butane-1,4-diaminium; Conformation; Disorder; Crystal packing; Hydrogen bonds;
Absolute configuration and crystal packing chirality for three conglomerate-forming ortho-halogen substituted phenyl glycerol ethers
Keywords: بسته بندی کریستال; Spontaneous resolution; Conglomerates; Molecular structure; Crystal packing; Supramolecular pattern chirality; Chirality transfer
Chirality driven crystallization behavior of ortho, meta, and para-cyanophenyl glycerol ethers
Keywords: بسته بندی کریستال; Spontaneous resolution; Conglomerates; Racemic compounds; Crystal packing; Supramolecular pattern chirality; Chirality transfer
Synthesis and characterization of transition metal complexes bearing tetrafluoro-4-pyridyl substituent on the cyclopentadienyl ring
Keywords: بسته بندی کریستال; Metallocenes; Tetrafluoro-4-pyridyl; Crystal packing; Arene stacking; Substituent effects; Electrochemistry;
One more chiral drug prone to spontaneous resolution: Binary phase diagram, absolute configuration, and crystal packing of bevantolol hydrochloride
Keywords: بسته بندی کریستال; Chiral drugs; Bevantolol; Spontaneous resolution; Conglomerates; Absolute configuration; Crystal packing
Absolute configuration and crystal packing for three chiral drugs prone to spontaneous resolution: Guaifenesin, methocarbamol and mephenesin
Keywords: بسته بندی کریستال; Chiral drugs; Spontaneous resolution; Conglomerates; Molecular structure; Crystal packing
The crystal packing modes of hexane-1,6-diaminium salts with acetic, mono-, di- and trichloroacetic acids
Keywords: بسته بندی کریستال; Hexane-1,6-diaminium; Conformation; Disorder; Crystal packing; Hydrogen bonds