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Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra
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journal
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January 2019 |
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An accurate and efficient method to predict the electronic excitation energies of BODIPY fluorescent dyes
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November 2012 |
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Kinetics and mechanism of reaction of acridine orange with bromateion at low pH
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March 1995 |
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1-Anilino-8-naphthalenesulfonate: A fluorescent probe of membrane surface structure, composition and mobility
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December 1974 |
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Excited state properties of chlorophyll f in organic solvents at ambient and cryogenic temperatures
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February 2014 |
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Absorption studies of acid-base equilibria of dye solutions
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journal
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December 1972 |
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The use of fluorescent probes for the study of membranes
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book
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January 1974 |
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Determination of accurate extinction coefficients and simultaneous equations for assaying chlorophylls a and b extracted with four different solvents: verification of the concentration of chlorophyll standards by atomic absorption spectroscopy
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August 1989 |
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The interaction of a naphthalene dye with apomyoglobin and apohemoglobin
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September 1965 |
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Energy transfer from thiacyanine to acridine orange facilitated by DNA
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August 1999 |
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Extinction coefficient for red-shifted chlorophylls: Chlorophyll d and chlorophyll f
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August 2012 |
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Evaluation of delocalized lipophilic cationic dyes as delivery vehicles for photosensitizers to mitochondria
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September 2009 |
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Oxyphor 2P: A High-Performance Probe for Deep-Tissue Longitudinal Oxygen Imaging
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March 2019 |
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A comparison of classifiers for predicting the class color of fluorescent proteins
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December 2019 |
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Zero-shot information extraction from radiological reports using ChatGPT
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journal
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March 2024 |
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Comprehensive review of photophysical parameters (ε, Φf, τs) of tetraphenylporphyrin (H2TPP) and zinc tetraphenylporphyrin (ZnTPP) – Critical benchmark molecules in photochemistry and photosynthesis
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journal
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March 2021 |
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Beyond green with synthetic chlorophylls – Connecting structural features with spectral properties
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journal
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September 2022 |
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Absorption and fluorescence spectra of open-chain tetrapyrrole pigments–bilirubins, biliverdins, phycobilins, and synthetic analogues
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journal
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June 2023 |
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Can machine learning methods accurately predict the molar absorption coefficient of different classes of dyes?
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journal
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October 2022 |
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Challenges in Information-Mining the Materials Literature: A Case Study and Perspective
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May 2022 |
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Prediction of Molecular Electronic Transitions Using Random Forests
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October 2020 |
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Machine Learning Enables Highly Accurate Predictions of Photophysical Properties of Organic Fluorescent Materials: Emission Wavelengths and Quantum Yields
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February 2021 |
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Beyond Woodward–Fieser Rules: Design Principles of Property-Oriented Chromophores Based on Explainable Deep Learning Optical Spectroscopy
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April 2022 |
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Machine Learning Models for Predicting Molecular UV–Vis Spectra with Quantum Mechanical Properties
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February 2023 |
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PubChemQC Project: A Large-Scale First-Principles Electronic Structure Database for Data-Driven Chemistry
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journal
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May 2017 |
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Heuristics from Modeling of Spectral Overlap in Förster Resonance Energy Transfer (FRET)
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November 2018 |
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Graph Neural Networks for Learning Molecular Excitation Spectra
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June 2022 |
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Digital Database of Absorption Spectra of Diverse Flavonoids Enables Structural Comparisons and Quantitative Evaluations
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journal
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February 2023 |
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Synthesis and Spectral Properties of 8-Anilinonaphthalene-1-sulfonic Acid (ANS) Derivatives Prepared by Microwave-Assisted Copper(0)-Catalyzed Ullmann Reaction
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journal
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October 2019 |
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Encapsulation of Various Guests by an Anionic In-Metal–Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal–Organic Framework
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September 2014 |
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Zero-Overlap Fluorophores for Fluorescent Studies at Any Concentration
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June 2020 |
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ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis
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August 2023 |
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Long Excited-State Lifetimes in Three-Coordinate Copper(I) Complexes via Triplet–Triplet Energy Transfer to Pyrene-Decorated Isocyanides
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July 2024 |
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Deep Learning Optical Spectroscopy Based on Experimental Database: Potential Applications to Molecular Design
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journal
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March 2021 |
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Acridine orange association equilibrium in aqueous solution
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January 1984 |
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Extracting accurate materials data from research papers with conversational language models and prompt engineering
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February 2024 |
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Deep learning for development of organic optoelectronic devices: efficient prescreening of hosts and emitters in deep-blue fluorescent OLEDs
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July 2022 |
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Comparative dataset of experimental and computational attributes of UV/vis absorption spectra
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December 2019 |
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Experimental database of optical properties of organic compounds
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September 2020 |
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Empirical assessment of ChatGPT’s answering capabilities in natural science and engineering
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February 2024 |
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Aqueous–membrane partitioning of β-substituted porphyrins encompassing diverse polarity
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January 2013 |
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Enhancement of aqueous stability and fluorescence brightness of indocyanine green using small calix[4]arene micelles for near-infrared fluorescence imaging
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January 2016 |
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Predicting the emission wavelength of organic molecules using a combinatorial QSAR and machine learning approach
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January 2020 |
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Tolyporphins A–R, unusual tetrapyrrole macrocycles in a cyanobacterium from Micronesia, assessed quantitatively from the culture HT-58-2
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January 2021 |
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Multi-fidelity prediction of molecular optical peaks with deep learning
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January 2022 |
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Deep-blue high-efficiency triplet–triplet annihilation organic light-emitting diodes using hydroxyl-substituted tetraphenylimidazole-functionalized anthracene fluorescent emitters
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January 2022 |
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Fine-tuning large language models for chemical text mining
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January 2024 |
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Picosecond electronic energy-transfer studies in sodium dodecyl sulfate micelles
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January 1992 |
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Domain-specific chatbots for science using embeddings
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October 2023 |
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Image and data mining in reticular chemistry powered by GPT-4V
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January 2024 |
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Flexible, model-agnostic method for materials data extraction from text using general purpose language models
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January 2024 |
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Phyllobilins – Bioactive Natural Products Derived from Chlorophyll – Plant Origins, Structures, Absorption Spectra, and Biomedical Properties
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journal
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December 2022 |
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The Absolute Quantum Yields of the Fluorescence of Chlorophyll Solutions
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August 1952 |
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Spectral Resemblances of Cata‐Condensed Hydrocarbons
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May 1949 |
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Electronic spectra from TDDFT and machine learning in chemical space
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August 2015 |
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Deep learning for UV absorption spectra with SchNarc: First steps toward transferability in chemical compound space
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October 2020 |
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The fluorescence quantum yield parameter in Förster resonance energy transfer (FRET)—Meaning, misperception, and molecular design
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March 2021 |
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Machine learning of molecular electronic properties in chemical compound space
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September 2013 |
The ultra-violet absorption spectra of some complex aromatic hydrocarbons-I
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Proceedings of the Royal Society of London. Series A - Mathematical and Physical Sciences, Vol. 152, Issue 876
https://doi.org/10.1098/rspa.1935.0193
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November 1935 |
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PhotochemCAD: A Computer-Aided Design and Research Tool in Photochemistry
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August 1998 |
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PhotochemCAD 2: A Refined Program with Accompanying Spectral Databases for Photochemical Calculations¶
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Database of Absorption and Fluorescence Spectra of >300 Common Compounds for use in PhotochemCAD
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February 2018 |
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PhotochemCAD 3: Diverse Modules for Photophysical Calculations with Multiple Spectral Databases
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February 2018 |
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Absorption and Fluorescence Spectral Database of Chlorophylls and Analogues
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November 2020 |
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Performance of chatbots in queries concerning fundamental concepts in photochemistry
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November 2024 |
Red and near-infrared fluorophores inspired by chlorophylls: consideration of practical brightness in multicolor flow cytometry and biomedical sciences
- Liu, Rui; Hu, Gongfang; Taniguchi, Masahiko
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Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications X
https://doi.org/10.1117/12.2302709
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conference
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February 2018 |
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Developing a user community in the photosciences: a website for spectral data and PhotochemCAD
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conference
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March 2019 |
Absorption and fluorescence spectra of organic compounds from 40 sources – archives, repositories, databases, and literature search engines
- Taniguchi, Masahiko; Lindsey, Jonathan S.
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Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XII
https://doi.org/10.1117/12.2542859
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conference
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March 2020 |
PhotochemCAD spectra viewer for web-based visualization of absorption and fluorescence spectra
- Wu, Zhiyuan; Kittinger, Allison; Norcross, Ann E.
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Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XIII
https://doi.org/10.1117/12.2577840
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conference
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March 2021 |
Digitization of print-based absorption and fluorescence spectra – extracting clarity from clutter
- Taniguchi, Masahiko; Wu, Zhiyuan; Sterling, Caitlin
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Reporters, Markers, Dyes, Nanoparticles, and Molecular Probes for Biomedical Applications XIV
https://doi.org/10.1117/12.2651694
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conference
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March 2023 |
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Light-scattering in absorption spectra: a literature survey of examples and corrections
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conference
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March 2024 |
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A metal-free blue chromophore derived from plant pigments
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journal
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April 2020 |
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Regularities of the photodestruction of acridine dyes in aqueous media
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journal
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February 2006 |
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ChatGPT is a Remarkable Tool—For Experts
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February 2024 |
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Note on the Polymerization of Dyes in Solution
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April 1957 |
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Determination of the fluorescence quantum yield by oceanic phytoplankton in their natural habitat
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January 2000 |
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Fluorescence Quantum Yields and Their Relation to Lifetimes of Rhodamine 6G and Fluorescein in Nine Solvents: Improved Absolute Standards for Quantum Yields¶
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April 2002 |
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ChatIE: Zero-Shot Information Extraction via Chatting with ChatGPT
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preprint
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January 2023 |
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What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks
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preprint
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January 2023 |