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The Vibrational Spectra of a Model Boron Dipyrromethene Molecule in Condensed Phase: Experimental and Theoretical Insights

https://doi.org/10.2139/ssrn.4847628
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Unveiling NIR Aza‐Boron‐Dipyrromethene (BODIPY) Dyes as Raman Probes: Surface‐Enhanced Raman Scattering (SERS)‐Guided Selective Detection and Imaging of Human Cancer Cells
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Design and synthesis of boron complexes as new Raman reporter molecules for sensitive SERS nanotags
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C RYSTAL14 : A program for theab initioinvestigation of crystalline solids
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Boron Dipyrromethene Nano‐Photosensitizers for Anticancer Phototherapies
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Near Infrared Boron Dipyrromethene Nanoparticles for Optotheranostics
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Quantum‐mechanical condensed matter simulations with CRYSTAL
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Molecular Structure and Vibrational Spectra
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Rhodamine 6G conjugated to gold nanoparticles as labels for both SERS and fluorescence studies on live endothelial cells
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Synthesis of BODIPY dyes through postfunctionalization of the boron dipyrromethene core
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Basic structural modifications for improving the practical properties of BODIPY
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Engineering of BODIPY-based theranostics for cancer therapy
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Evolution of BODIPY as triplet photosensitizers from homogeneous to heterogeneous: The strategies of functionalization to various forms and their recent applications
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Evolution of Aza-BODIPY dyes-A hot topic
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A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
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Modelling organic molecular crystals by hybrid quantum mechanical/molecular mechanical embedding
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The synthesis and crystal structure of unsubstituted 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY)
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Density functional theory study of vibrational spectra and assignment of fundamental vibrational modes of 1-methyl-4-piperidone
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Applications of near infrared and surface enhanced Raman scattering techniques in tumor imaging: A short review
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Accurate crystal fields for embedded cluster calculations
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Vibrational spectra of monothiocarbamates-II. IR and Raman spectra, vibrational assignment, conformational analysis and ab initio calculations of S-methyl-N,N-dimethylthiocarbamate
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Diagnostics and Therapy Assessment Using Label-Free Raman Imaging
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The Best Models of Bodipy’s Electronic Excited State: Comparing Predictions from Various DFT Functionals with Measurements from Femtosecond Stimulated Raman Spectroscopy
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Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory
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Surface-Enhanced Raman Spectroscopy and Density Functional Theory Calculations of a Rationally Designed Rhodamine with Thiol Groups at the Xanthene Ring
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Aza-BODIPY-Based Nanomedicines in Cancer Phototheranostics
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Aggregation Effects on Pigment Coatings: Pigment Red 179 as a Case Study
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Ab initio vibrational Raman and Raman optical activity spectra
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Ultrafast Solvation Dynamics and Vibrational Coherences of Halogenated Boron-Dipyrromethene Derivatives Revealed through Two-Dimensional Electronic Spectroscopy
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The Smallest and One of the Brightest. Efficient Preparation and Optical Description of the Parent Borondipyrromethene System
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Fluorescent indicators based on BODIPY
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XPS and quantum chemical analysis of 4Me-BODIPY derivatives
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Mitochondria-targeted BODIPY dyes for small molecule recognition, bio-imaging and photodynamic therapy
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Determining point charge arrays that produce accurate ionic crystal fields for atomic cluster calculations
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Red/Near‐infrared Boron–Dipyrromethene Dyes as Strongly Emitting Fluorophores
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