All Stories

  1. Electronic Structure Effects Related to the Origin of the Remarkable Near-Infrared Absorption of Blastochloris viridis’ Light Harvesting 1-Reaction Center Complex
  2. Synthesis, Optical Characterization in Solution and Solid-State, and DFT Calculations of 3-Acetyl and 3-(1′-(2′-Phenylhydrazono)ethyl)-coumarin-(7)-substituted Derivatives
  3. A boron, nitrogen-containing heterocyclic carbene (BNC) as a redox active ligand: synthesis and characterization of a lithium BNC-aurate complex
  4. A water-stable luminescent Zn-MOF based on a conjugated π-electron ligand as an efficient sensor for atorvastatin and its application in pharmaceutical samples
  5. Impact of secondary salts, temperature, and pH on the colloidal stability of graphene oxide in water
  6. Synthesis of a series of Pd(ii) complexes of the type [Pd(1,10-phen)(SRF)2]: an interesting case of solvatomorphism
  7. Evaluation of Antiproliferative Palladium(II) Complexes of Synthetic Bisdemethoxycurcumin towards In Vitro Cytotoxicity and Molecular Docking on DNA Sequence
  8. Electrochemical reactivity of S-phenacyl-O-ethyl-xanthates in hydroalcoholic (MeOH/H2O 4:1) and anhydrous acetonitrile media
  9. Chemosensing of neurotransmitters with selectivity and naked eye detection of l-DOPA based on fluorescent Zn(ii)-terpyridine bearing boronic acid complexes
  10. Proton to hydride umpolung at a phosphonium center via electron relay: a new strategy for main-group based water reduction
  11. A Digallane Gold Complex with a 12-Electron Auride Center: Synthesis and Computational Studies
  12. Accurate Estimation of pKb Values for Amino Groups from Surface Electrostatic Potential (VS,min) Calculations: The Isoelectric Points of Amino Acids as a Case Study
  13. Fluorescence decay rate of selected compounds from Eysenhardtia polystachya extracts and their viability as biosensors
  14. Hydrophobic unnatural base pairs show a Watson-Crick pairing in micro-second molecular dynamics simulations
  15. Long range 1H19F coupling through multiple bond in thienopyridines, isoquinolines and 2-aza-carbazoles derivatives
  16. Calculation of VS,max and Its Use as a Descriptor for the Theoretical Calculation of pKa Values for Carboxylic Acids
  17. A Redox-Switchable, Allosteric Coordination Complex
  18. Quantification of σ–Holes and Their Use as a Descriptor for the Theoretical Calculation of pKa Values for Carboxylic Acids
  19. Real-Time Visualization of Cell Membrane Damage Using Gadolinium–Schiff Base Complex-Doped Quantum Dots
  20. Piperazine-based HIV-1 entry inhibitors: Massive in silico library design and screening for gp120 attachment inhibitors
  21. Spectroscopical UV-Vis implications of an intramolecular η2 -Mg coordination in bacteriochlorophyll-a from the Fenna-Matthews-Olson complex
  22. An Allosterically Regulated, Four-State Macrocycle
  23. Evolution of the Fenna–Matthews–Olson Complex and Its Quantum Coherence Features. Which Led the Way?
  24. Molecular Group 13 Metallaborates Derived from M–O–M Cleavage Promoted by BH3
  25. Structural and dynamical instability of DNA caused by high occurrence of d5SICS and dNaM unnatural nucleotides
  26. Ab Initio Modeling of Friction Reducing Agents Shows Quantum Mechanical Interactions Can Have Macroscopic Manifestation
  27. ChemInform Abstract: Synthesis and Crystal Structures of Stable 4-Aryl-2-(trichloromethyl)-1,3-diaza-1,3-butadienes.
  28. Aromatization of pyridinylidenes into pyridines is inhibited by exocyclic delocalization. A theoretical mechanistic assessment
  29. In silico design of calixarene-based arsenic acid removal agents
  30. Synthesis and Crystal Structures of Stable 4-Aryl-2-(trichloromethyl)-1,3-diaza-1,3-butadienes
  31. CCl3 is transformed into CH3 because Cl is not electrically negative but positive
  32. Computational design of drug delivery molecules
  33. Sensitive water-soluble fluorescent chemosensor for chloride based on a bisquinolinium pyridine-dicarboxamide compound
  34. Synthesis and Crystal Structure of the First Selenonyl Bis(carboxylate) SeO2(O2CCH3)2
  35. Theoretical Assessment of the Selective Fluorescence Quenching of 1-Amino-8-naphthol-3,6-disulfonic Acid (H-Acid) Complexes with Zn 2+ , Cd 2+ , and Hg 2+ : A DFT and TD-DFT Study
  36. A Multi-State, Allosterically-Regulated Molecular Receptor With Switchable Selectivity
  37. Calix[n]arene-based drug carriers: A DFT study of their electronic interactions with a chemotherapeutic agent used against leukemia
  38. In Silico Design of Monomolecular Drug Carriers for the Tyrosine Kinase Inhibitor Drug Imatinib Based on Calix- and Thiacalix[n]arene Host Molecules: A DFT and Molecular Dynamics Study
  39. Selective Optical Sensing of Hg(II) in Aqueous Media by H-Acid/SBA-15: A Combined Experimental and Theoretical Study
  40. Molecular Heterobimetallic Aluminoxanes and Aluminoxane Sulfides Containing Group 4 Metals
  41. ChemInform Abstract: Synthesis of New γ-Lactones from Preactivated Monosubstituted Pyrazines and TMS-Ketene Acetals.
  42. Synthesis of new γ-lactones from preactivated monosubstituted pyrazines and TMS–ketene acetals
  43. Ab initio calculations of electronic interactions in inclusion complexes of calix- and thiacalix[n]arenes and block s cations
  44. Coordination Diversity of Aluminum Centers Molded by Triazole Based Chalcogen Ligands
  45. Influence of intramolecular Sn–chalcogen interactions on the conformational preferences for three diorganotin(IV) xanthates
  46. Phosphane-free C–C Heck couplings catalyzed by Pd(II) fluorinated aniline complexes of the type trans-[PdCl2(NH2ArF)2]
  47. Synthesis of the anisobidentate compound bis(2-amino-cyclopent-1-ene-carbodithioate)diethyltin (IV). Experimental and theoretical study