Keywords: هیرشفلد; Thalidomide; Thermal stability; Polymorphs; Gamma irradiation; Hirshfeld;
مقالات ISI هیرشفلد (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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Keywords: هیرشفلد; Crystal growth; X-ray diffraction; Hirshfeld; NMR; FTIR; Optical transmittance; TG-DTA; Hardness; LDT; Z-scan;
Keywords: هیرشفلد; Sulfonyl hydrazones; X-ray; Monoclinic; Hirshfeld; TGA; DTA; Antimicrobial and pyrazole;
Synthesis, crystal structure, Hirshfeld surfaces, and thermal, mechanical and dielectrical properties of cholest-5-ene
Keywords: هیرشفلد; Cholest-5-ene; Hirshfeld; Mechanical; Dielectrical;
Keywords: هیرشفلد; Zinc; Nanostructure; Hirshfeld; Sonochemical; Schiff base;
Low temperature X-ray structure analyses combined with NBO studies of a new heteroleptic octa-coordinated Holmium(III) complex with N,N,N-tridentate hydrazono-phthalazine-type ligand
Keywords: هیرشفلد; Holmium(III); Hydrazono-phthalazine; Hirshfeld; NBO; QTAIM;
A new 1D manganese(II) coordination polymer with end-to-end azide bridge and isonicotinoylhydrazone Schiff base ligand: Crystal structure, Hirshfeld surface, NBO and thermal analyses
Keywords: هیرشفلد; Manganese; Complex; Polymer; Hirshfeld; NBO; Coordination; YTWORRFFUJXGRA-UHFFFAOYSA-N;
Experimental and theoretical analysis of a rare nitrato bridged 3d-4f complex containing LaZn2 core synthesized from a Zn(II) metalloligand
Keywords: هیرشفلد; 3d-4f; Salen-type; Hirshfeld; DFT studies; La(III); Crystal structures;
One pot synthesis of two Mn(II) perchlorate complexes with s-triazine NNN-pincer ligand; molecular structure, Hirshfeld analysis and DFT studies
Keywords: هیرشفلد; s-triazine pincer ligand; Mn(II); Hirshfeld; AIM; Self assembly;
The effects of altering reaction conditions in synthesis of a novel lead(II) 2D coordination polymer as well as in achieving the same morphologies of lead(II)oxide micro-nano structures via solid-state process
Keywords: هیرشفلد; Coordination polymer compound; Sonochemical process; Hirschfeld surface analysis; Morphology; Hirshfeld;
DFT/TD-DFT calculations, spectroscopic characterizations (FTIR, NMR, UV-vis), molecular docking and enzyme inhibition study of 7-benzoyloxycoumarin
Keywords: هیرشفلد; DFT; 7-benzoyloxycoumarin; Hirshfeld; Molecular docking; BuChE inhibition;
Regioselective formation of chlorohydrins from ring-opening of steroidal epoxides using silica-supported BiCl3: A spectral and X-ray crystallographic study
Keywords: هیرشفلد; Steroidal epoxide; Silica supported BiCl3; Chlorohydrins; Hirshfeld;
Synthesis, crystal structure and spectroscopic properties of ethanol solvated α-Keggin heteropolymolybdate
Keywords: هیرشفلد; α-Keggin heteropolymolybdate; X-ray structure; Hirshfeld; Thermal analysis;
Studies on synthesis, structural, luminescent and thermal properties of a new non-linear optical crystal: 4-amino-4H-1,2,4-triazol-1-ium-3-hydroxy-2,4,6-trinitrophenolate
Keywords: هیرشفلد; Single crystal XRD; Phosphorescence; Hydrogen bonding; Hirshfeld; Hyperpolarizability;
Crystal structure, Hirshfeld and vibrational study at ambient temperature of propylammonium pentachlorobismuthate [n-C3H7NH3]2BiCl5 (III)
Keywords: هیرشفلد; Propylammonium; Pentachlorobismuthate; Crystal structure; Hirshfeld; Fingerprint plots; Infrared and Raman spectra;
Experimental and theoretical investigations on Pd(II) host-guest compound: Deciphering the structural and electronic features of a potential bioactive complex
Keywords: هیرشفلد; Pd(II); Crystal structures; Salen-type; Hirshfeld; DFT studies; Molecular docking; Charge distribution;
Experimental and theoretical studies on photoluminescent Zn(II) host complex with an open book structure: Implication on potential bioactivity and comparison with its ligand and Zn(II), Pd(II) siblings
Keywords: هیرشفلد; Zn(II); Salen-type; Hirshfeld; DFT studies; Molecular docking;
Quantum chemical calculation (RDG) of molecular structural evaluation, Hirshfeld, DSSC and docking studies of 4-nitrophenylacetic acid
Keywords: هیرشفلد; Vibrational spectra; Dye Sensitized Solar Cell; Reduced density gradient; Hirshfeld; Docking;
Structural analyses of two new highly distorted octahedral copper(II) complexes with quinoline-type ligands; Hirshfeld, AIM and NBO studies
Keywords: هیرشفلد; X-ray; Hirshfeld; AIM; NBO; Quinoline;
Supramolecular architecture of organotin(IV) 4-hydroxypiperidine dithiocarbamates: Crystallographic, computational and Hirshfeld surface analyses
Keywords: هیرشفلد; Organotin; X-ray; Supramolecular; Hirshfeld; AIM; TGA
Structural elucidation, density functional calculations and contribution of intermolecular interactions in cholest-4-en-3-one crystals: Insights from X-ray and Hirshfeld surface analysis
Keywords: هیرشفلد; Steroids; Cholest-4-en-3-one; X-ray; Hirshfeld; DFT
Substituent effect on supramolecular motifs in series of succinimide polycyclic keto derivatives – Spectroscopic, theoretical and crystallographic studies
Keywords: هیرشفلد; ANCSTQOQVZOPMK-QCLRYTQTSA-N; XTNVMDZNEVLXSI-UUWSFJEBSA-N; SYGVPWUMADDKAP-WPPJMWBSSA-N; PJECVXHOVXWQPE-TYBDBDAVSA-N; ZKMQSNIVOPDOIK-OCJLTPDGSA-N; HHWMWOPVVUEGTC-ZQYYJMJTSA-N; AMKBDLOXYZAXGJ-JYTLZHPNSA-NSubstituent effect; Supramolecular synthon; Hirshfeld
A Hirshfeld-I interpretation of the local moment composition of the quadrupole moments of the halogenated acetylenes FCCF, ClCCCl, BrCCBr, and ICCI
Keywords: هیرشفلد; Hirshfeld; Quadrupole moments; Halogenated acetylenes;