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Solvent impact on the planarity and aromaticity of free and monohydrated zinc phthalocyanine: a theoretical study

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Phthalocyanines as Photosensitizers in the Photodynamic Therapy of Cancer
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Global and Local Aromaticity in Porphyrins: An Analysis Based on Molecular Geometries and Nucleus-Independent Chemical Shifts
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Über die Produkte der Einwirkung von Acetanhydrid auf Phthalamid
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Quelques sels complexes des o‐dinitriles avec le cuivre et la pyridine
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Comparative study of metal‐porphyrins, ‐porphyrazines, and ‐phthalocyanines
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Laser-Desorption Supersonic Jet Spectroscopy of Phthalocyanines
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Computational Chemistry and Molecular Modeling: Principles and Applications
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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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Theoretical study of the solvent effect on the aromaticity of benzene: a NICS analysis
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Aromaticity of pentafulvene’s complexes with alkaline metal atoms
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DFT and experimental studies on structure and spectroscopic parameters of 3,6-diiodo-9-ethyl-9H-carbazole
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Aromaticity: what does it mean?
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Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
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Electrochemistry of lutetium crowned ether diphthalocyanine films
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Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects
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Copper-d-penicillamine complex as potential contrast agent for MRI
inferredcites →https://doi.org/10.1016/j.cplett.2003.08.065openalex-snapshot
Density functional theory investigations of geometries and electronic spectra of lithium phthalocyanines
inferredcites →https://doi.org/10.1016/j.dyepig.2013.09.020openalex-snapshot
Structural characterisation and DFT calculations of three new complexes of zinc phthalocyanine with n-alkylamines
inferredcites →https://doi.org/10.1016/j.molstruc.2006.05.030openalex-snapshot
Synthesis, crystal structure and characterization of a new zinc phthalocyanine complex
inferredcites →https://doi.org/10.1016/j.saa.2015.11.003openalex-snapshot
Interactions of zinc octacarboxyphthalocyanine with selected amino acids and with albumin
inferredcites →https://doi.org/10.1016/j.theochem.2008.12.013openalex-snapshot
Theoretical studies of zinc phthalocyanine monomer, dimer and trimer forms
inferredcites →https://doi.org/10.1016/s0009-2614(00)01227-6openalex-snapshot
Effects of oxygen on exciton transport in zinc phthalocyanine layers
inferredcites →https://doi.org/10.1016/s0022-328x(00)99651-7openalex-snapshot
Ab initio molecular orbital theory
inferredcites →https://doi.org/10.1016/s0040-4020(00)00919-4openalex-snapshot
Global and Local Aromaticity of Linear and Angular Polyacenes
inferredcites →https://doi.org/10.1016/s0040-4039(01)94175-9openalex-snapshot
Definition of aromaticity basing on the harmonic oscillator model
inferredcites →https://doi.org/10.1016/s0166-1280(00)00441-3openalex-snapshot
Density functional study of a model amide. Prediction of formamide geometry, dipole moment, IR harmonic vibration νCO and GIAO NMR shieldings
inferredcites →https://doi.org/10.1021/ar50107a003openalex-snapshot
Ab initio molecular orbital theory
inferredcites →https://doi.org/10.1021/ar700111aopenalex-snapshot
Density Functionals with Broad Applicability in Chemistry
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Crystallographic studies of inter- and intramolecular interactions reflected in aromatic character of .pi.-electron systems
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Basis set selection for molecular calculations
inferredcites →https://doi.org/10.1021/cr030088+openalex-snapshot
Nucleus-Independent Chemical Shifts (NICS) as an Aromaticity Criterion
inferredcites →https://doi.org/10.1021/cr400252hopenalex-snapshot
Aromaticity from the Viewpoint of Molecular Geometry: Application to Planar Systems
inferredcites →https://doi.org/10.1021/cr990326uopenalex-snapshot
Structural Aspects of Aromaticity
inferredcites →https://doi.org/10.1021/ed041p245openalex-snapshot
Phthalocyanine compounds
inferredcites →https://doi.org/10.1021/ic701248uopenalex-snapshot
Germanium Phthalocyanine, GePc, and the Reduced Complexes SiPc(pyridine)2 and GePc(pyridine)2 Containing Antiaromatic π-Electron Circuits
inferredcites →https://doi.org/10.1021/ja00446a021openalex-snapshot
Molecular stereochemistry of phthalocyanatozinc(II)
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Structure and chemistry of the porphyrins. Crystal and molecular structure of the monohydrated dipyridinated magnesium phthalocyanine complex
inferredcites →https://doi.org/10.1021/ja00973a009openalex-snapshot
Induced Paramagnetic Ring Currents
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A Quantitative Scale for the Degree of Aromaticity and Antiaromaticity: A Comparison of Theoretical and Experimental Enthalpies of Hydrogenation
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Molecular Structures of Phthalocyaninatozinc and Hexadecafluorophthalocyaninatozinc Studied by Gas-Phase Electron Diffraction and Quantum Chemical Calculations
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Hexacoordinate Bonding and Aromaticity in Silicon Phthalocyanine
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Simultaneous electrical conductivity and piezoelectric mass measurements on iodine-doped phthalocyanine Langmuir-Blodgett films
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The Acenes: Is There a Relationship between Aromatic Stabilization and Reactivity?
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Aromatization of Fulvene by Complexation with Lithium
inferredcites →https://doi.org/10.1038/am.2012.22openalex-snapshot
Significant increase in the water dispersibility of zinc phthalocyanine nanowires and applications in cancer phototherapy
inferredcites →https://doi.org/10.1039/b005091lopenalex-snapshot
IR and Raman assignments for zinc phthalocyanine from DFT calculations
inferredcites →https://doi.org/10.1039/c0cp00055hopenalex-snapshot
Infra-red and Raman spectroscopy of free-base and zinc phthalocyanines isolated in matrices
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Multi-conformer molecules in solutions: an NMR-based DFT/MP2 conformational study of two glucopyranosides of a vitamin E model compound
inferredcites →https://doi.org/10.1039/c6ra03246jopenalex-snapshot
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Photosensitizers of the porphyrin and phthalocyanine series for photodynamic therapy
inferredcites →https://doi.org/10.1049/el:19840340openalex-snapshot
GaP/phthalocyanine Langmuir–Blodgett film electroluminescent diode
inferredcites →https://doi.org/10.1063/1.1370064openalex-snapshot
Ground state electronic structures and spectra of zinc complexes of porphyrin, tetraazaporphyrin, tetrabenzoporphyrin, and phthalocyanine: A density functional theory study
inferredcites →https://doi.org/10.1063/1.1674902openalex-snapshot
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
inferredcites →https://doi.org/10.1063/1.329425openalex-snapshot
Phthalocyanine organic solar cells: Indium/x-metal free phthalocyanine Schottky barriers
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.465880openalex-snapshot
Structure of zinc phthalocyanine by gas phase electron diffraction
inferredcites →https://doi.org/10.1063/1.479584openalex-snapshot
Electron diffraction studies of metal phthalocyanines, MPc, where M=Sn, Mg, and Zn (reinvestigation)
inferredcites →https://doi.org/10.1093/ajcn/51.2.225openalex-snapshot
Zinc toxicity
inferredcites →https://doi.org/10.1103/physrev.136.b864openalex-snapshot
Inhomogeneous Electron Gas
inferredcites →https://doi.org/10.1103/physrev.140.a1133openalex-snapshot
Self-Consistent Equations Including Exchange and Correlation Effects
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1107/s0567739476001551openalex-snapshot
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
inferredcites →https://doi.org/10.1111/php.12332openalex-snapshot
Design of a Gd‐ DOTA ‐Phthalocyanine Conjugate Combining MRI Contrast Imaging and Photosensitization Properties as a Potential Molecular Theranostic
inferredcites →https://doi.org/10.1134/s1070363209080271openalex-snapshot
Highly symmetrical phthalocyanines and perfluorophthalocyanines: The quantum-chemical study
inferredcites →https://doi.org/10.1201/9781003574231openalex-snapshot
Phthalocyanine Research and Applications
inferredcites →https://doi.org/10.1246/bcsj.44.2095openalex-snapshot
The Crystal Structure of the 2 : 3 Complex of Zinc Phthalocyanine and n-Hexylamine
inferredcites →https://doi.org/10.1351/pac199668020209openalex-snapshot
What is aromaticity?

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Theoretical Exploration on the Aromaticity Regulation of Prophyrazine by (De)Protonation and (De)Hydrogenation
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Local aromaticity mapping in the vicinity of planar and nonplanar molecules
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Local aromaticity in polyacenes manifested by individual proton and carbon shieldings: DFT mapping of aromaticity
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Investigation of solvent effects on the aromaticity of hydroxybenzenes, considering magnetically induced current densities in adducts with explicit water molecules
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Quantum-Chemical Calculations of the Geometric Structures and Electronic Spectra of Phthalocyanines MgPc and H2Pc and Their β-Octaphenyl Derivatives
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Effect of solvents, catalysts and drying agent addition on the thermal stability of zinc phthalocyanine in the hybrid sol–gel matrix
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Ytterbium induced structural phase transitions and their effects on the optical and electrical properties of ZnPc thin films
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Interplay of thermochemistry and Structural Chemistry, the journal (volume 29, 2018, issues 3–4) and the discipline
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Theoretical exploration on the aromaticity regulation of prophyrazine by (de)protonation and (de)hydrogenation
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Effect of the meso/beta halogenation in the photoelectronic properties and aromaticity of expanded porphyrins
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Spectroscopic characterization of non-covalent CuPc-GO system. Experiment and theory
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Systematic investigation of brightener’ s effects on alkaline non-cyanide zinc electroplating using HPLC and molecular modeling
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Determination of phthalocyanines energy gaps based on spectroscopic and electrochemical studies and DFT calculations
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Redox activity and biomolecular affinity of gallium octacarboxyphthalocyanine hydroxide investigated by spectroscopic and DFT methods
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Position of Methyl and Nitrogen on Axial Aryloxy Substituents Determines the Crystal Structure of Silicon Phthalocyanines
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An automated illumination system for high-throughput photopharmacology studies: a case study of ROS-sensitive Zn- and Pd-phthalocyanine-loaded liposomes
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Structures and solvent effects on the 1H and 13C NMR chemical shifts of the family of three pro-lithospermate molecules: DFT study
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Near-infrared absorption of fused core-modified expanded porphyrins for dye-sensitized solar cells
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Spectral-luminescence properties of PV corrolazines with axial alkoxide ligands
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Quantum Chemical Stability Analysis of Phthalocyanine Metal One-Dimensional Polymers with Bidentate Ligands
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Molecular-Level Insights into Meta-Phenylenediamine and Sulfonated Zinc Phthalocyanine Interactions for Enhanced Polyamide Membranes: A DFT and TD-DFT Study
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Effects of solvents on the aromaticity and thermodynamic properties of azacalix[2]arene[2]pyrimidines: A computational study
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CALCULATION OF HOMA AND BIRD AROMATICITY INDICES, NLO AND NBO PROPERTIES OF BENIDIPINE
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