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  6. [Analysis Case] Quantum Chemical Calculation of Pigment Molecule UV-Vis Simulation

[Analysis Case] Quantum Chemical Calculation of Pigment Molecule UV-Vis Simulation

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last updated:Apr 02, 2026

一般財団法人材料科学技術振興財団 MST
一般財団法人材料科学技術振興財団 MST
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The electronic properties of molecules can be investigated through UV-Vis spectrum simulation.

Pigment Red 254 (p-Cl DPP) is a type of DPP (diketopyrrolopyrrole) pigment that exhibits a vivid red color. DPP pigments are used as red pigments with excellent weather resistance, and due to their ease of mass production and low cost, they are also expected to be utilized as organic EL materials. This document presents a case study of UV-Vis spectrum simulation based on quantum chemical calculations targeting Pigment Red 254 in solution. By referring to the simulation results, the spectral shape of the measured data can be interpreted. Measurement method: Computational science and data analysis, UV-Vis Product fields: Lighting, displays, cosmetics, daily necessities Analysis purpose: Evaluation of chemical bonding states For more details, please download the document or contact us.

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[Analysis Case] Quantum Chemical Calculation of Pigment Molecule UV-Vis Simulation

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Analysis of lighting, displays, cosmetics, and daily necessities.

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[Analysis Case] UV-Vis Spectrum Simulation of Dye Molecules Using Quantum Chemical Calculations_C0651

[Analysis Case] UV-Vis Spectrum Simulation of Dye Molecules Using Quantum Chemical Calculations_C0651

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一般財団法人材料科学技術振興財団 MST

一般財団法人材料科学技術振興財団 MST

Testing, Analysis and Measurement

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MST is a foundation that provides contract analysis services. We possess various analytical instruments such as TEM, SIMS, and XRD to meet your analysis needs. Our knowledgeable sales representatives will propose appropriate analysis plans. We are also available for consultations at your company, of course. We have obtained ISO 9001 and ISO 27001 certifications. Please feel free to consult us for product development, identifying causes of defects, and patent investigations! MST will guide you to solutions for your "troubles"!

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