Crystal structures of chemical compounds -- 专题文献

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Chalcogen bonding in coordination chemistry

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A^IB₃^IIC₃^IIIQ₈^VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units

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C–H⋯S hydrogen bonding interactions

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Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy functionalized schiff base Cu(II) complex

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Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C₄H₆N₃)⁺(H₂PO₃)⁻

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Cocrystals by Design: A Rational Coformer Selection Approach for Tackling the API Problems

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Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications

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Synthesis, structural studies, Hirshfeld surface analysis, and molecular docking studies of a thiophene-based Schiff base compound

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A High‐Performance Nonlinear Optical Crystal with a Building Block Containing Expanded π‐Delocalization

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Sr₃[SnOSe₃][CO₃]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO₃] and Heteroleptic [SnOSe₃] Anionic Groups

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专题：Crystal structures of chemical compounds

最新文献

Synthesis, crystal, electronic, and supramolecular characterization of new 1,2-bis(1-(5-bromothiophen-2-yl)ethylidene)hydrazine (5BEH): Insights from XRD, DFT, Hirshfeld analysis, molecular docking, and ADMET studies

Allosteric inhibition mechanism of PTP1B by DPM-1001 using molecular dynamics simulation

Influence of anion on the solid-state assembly of dimeric tweezer complexes

Synthesis and structure of {methyl ( Z )-2-[4-(dimethylamino)benzylidene]hydrazine-1-carbodithioate-κ ² N ² , S }bis(triphenylphosphine-κ P )copper(I) nitrate carbon tetrachloride monosolvate

Co-existence of halogen- and chalcogen-bonding in sulphur-rich systems: a case study of halogenated dithiocarbamate esters

Theoretical insights into the reactivity, topological properties, and OSR1 kinase interaction of anti-hypertensive drugs: a DFT and docking-based study

Halogen bonding in functional chiral systems

Picolyl appended bis-dithiocarbamate complexes of nickel(II), copper(II), and zinc(II) holding hydroxy arms: Synthesis, photophysical, antimicrobial, DFT, and molecular docking studies

Synthesis, crystal structure, Hirshfeld surface analysis and quantum chemical calculations, molecular docking studies of pyridazine-based ligand and its Zn(II) complex

Synthesis and structure of organometallic coordination polymer based on lanthanum(III) and bro-minated terphenyl dicarboxylic acid

近5年高被引文献

Chalcogen bonding in coordination chemistry

A^IB₃^IIC₃^IIIQ₈^VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units

C–H⋯S hydrogen bonding interactions

Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy functionalized schiff base Cu(II) complex

Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C₄H₆N₃)⁺(H₂PO₃)⁻

Cocrystals by Design: A Rational Coformer Selection Approach for Tackling the API Problems

Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications

Synthesis, structural studies, Hirshfeld surface analysis, and molecular docking studies of a thiophene-based Schiff base compound

A High‐Performance Nonlinear Optical Crystal with a Building Block Containing Expanded π‐Delocalization

Sr₃[SnOSe₃][CO₃]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO₃] and Heteroleptic [SnOSe₃] Anionic Groups

专题：Crystal structures of chemical compounds

最新文献

Synthesis, crystal, electronic, and supramolecular characterization of new 1,2-bis(1-(5-bromothiophen-2-yl)ethylidene)hydrazine (5BEH): Insights from XRD, DFT, Hirshfeld analysis, molecular docking, and ADMET studies

Allosteric inhibition mechanism of PTP1B by DPM-1001 using molecular dynamics simulation

Influence of anion on the solid-state assembly of dimeric tweezer complexes

Synthesis and structure of {methyl ( Z )-2-[4-(dimethylamino)benzylidene]hydrazine-1-carbodithioate-κ 2 N 2 , S }bis(triphenylphosphine-κ P )copper(I) nitrate carbon tetrachloride monosolvate

Co-existence of halogen- and chalcogen-bonding in sulphur-rich systems: a case study of halogenated dithiocarbamate esters

Theoretical insights into the reactivity, topological properties, and OSR1 kinase interaction of anti-hypertensive drugs: a DFT and docking-based study

Halogen bonding in functional chiral systems

Picolyl appended bis-dithiocarbamate complexes of nickel(II), copper(II), and zinc(II) holding hydroxy arms: Synthesis, photophysical, antimicrobial, DFT, and molecular docking studies

Synthesis, crystal structure, Hirshfeld surface analysis and quantum chemical calculations, molecular docking studies of pyridazine-based ligand and its Zn(II) complex

Synthesis and structure of organometallic coordination polymer based on lanthanum(III) and bro-minated terphenyl dicarboxylic acid

近5年高被引文献

Chalcogen bonding in coordination chemistry

AIB3IIC3IIIQ8VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units

C–H⋯S hydrogen bonding interactions

Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy functionalized schiff base Cu(II) complex

Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−

Cocrystals by Design: A Rational Coformer Selection Approach for Tackling the API Problems

Fabrication, structural elucidation, theoretical, TD-DFT, vibrational calculation and molecular docking studies of some novel adenine imine chelates for biomedical applications

Synthesis, structural studies, Hirshfeld surface analysis, and molecular docking studies of a thiophene-based Schiff base compound

A High‐Performance Nonlinear Optical Crystal with a Building Block Containing Expanded π‐Delocalization

Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups

Synthesis and structure of {methyl ( Z )-2-[4-(dimethylamino)benzylidene]hydrazine-1-carbodithioate-κ ² N ² , S }bis(triphenylphosphine-κ P )copper(I) nitrate carbon tetrachloride monosolvate

A^IB₃^IIC₃^IIIQ₈^VI: A New Family for the Design of Infrared Nonlinear Optical Materials by Coupling Octahedra and Tetrahedra Units

Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C₄H₆N₃)⁺(H₂PO₃)⁻

Sr₃[SnOSe₃][CO₃]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO₃] and Heteroleptic [SnOSe₃] Anionic Groups