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Structures and electronic properties of halogenated Au(III) phthalocyanine AuPcX (X = Cl, Br): A Density Functional Theoretical Study

https://doi.org/10.1016/j.commatsci.2018.06.007
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Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.

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The 30 checked references that resolve
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Adsorption of CO, O<sub>2</sub>, NO<sub>2</sub>, and NH<sub>3</sub> by Metallophthalocyanine Monolayers Supported on Graphite
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Characterization and photovoltaic performance of organic device based on AlPcCl/p-Si heterojunction
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Peripheral and Axial Substitution of Phthalocyanines with Solketal Groups:  Synthesis and In Vitro Evaluation for Photodynamic Therapy
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resolves10.3390/ma2031127
Syntheses and Functional Properties of Phthalocyanines
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Current status of phthalocyanines in the photodynamic therapy of cancer
resolves10.1016/j.jphotochem.2013.12.010
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resolves10.1016/S0143-7208(02)00104-3
Synthesis and properties of some novel soluble metallophthalocyanines containing the 3-trifluromethylphenyoxy moiety
resolves10.1021/cr9003049
Low Symmetry Phthalocyanines and Their Analogues
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Synthesis and derivatization of near-IR absorbing titanylphthalocyanines with dimethylaminoethylsulfanyl substituents
resolves10.1088/1674-1056/22/11/118101
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resolves10.1002/pssa.2211440110
Phase behaviour of halogenated metal phthalocyanines
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resolves10.1002/chem.201201701
Gold(II) Phthalocyanine Revisited: Synthesis and Spectroscopic Properties of Gold(III) Phthalocyanine and an Unprecedented Ring‐Contracted Phthalocyanine Analogue
resolves10.1016/j.jmgm.2012.08.006
Substituent effects on zinc phthalocyanine derivatives: A theoretical calculation and screening of sensitizer candidates for dye-sensitized solar cells
resolves10.1021/ja0299710
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Ground and Excited States of Zinc Phthalocyanine Studied by Density Functional Methods
resolves10.1016/j.dyepig.2013.09.020
Structural characterisation and DFT calculations of three new complexes of zinc phthalocyanine with n-alkylamines
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A new mixing of Hartree–Fock and local density-functional theories
resolves10.1063/1.477483
An efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules
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New developments in the polarizable continuum model for quantum mechanical and classical calculations on molecules in solution
resolves10.1021/jp000156l
Fast Evaluation of Geometries and Properties of Excited Molecules in Solution:  A Tamm-Dancoff Model with Application to 4-Dimethylaminobenzonitrile
resolves10.1021/cr00088a005
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
resolves10.1021/jp905412y
Substituent Effect on the Meso-Substituted Porphyrins: Theoretical Screening of Sensitizer Candidates for Dye-Sensitized Solar Cells
resolves10.1021/jp0750598
Highly Efficient Porphyrin Sensitizers for Dye-Sensitized Solar Cells
resolves10.1021/jz302101j
Molecular Design of Porphyrins for Dye-Sensitized Solar Cells: A DFT/TDDFT Study
The 3 references without a DOI — listed, not checked
no DOI — not checked10.1016/j.commatsci.2018.06.007_b0005
no DOI — not checked10.1016/j.commatsci.2018.06.007_b0020
no DOI — not checked10.1016/j.commatsci.2018.06.007_b0145
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