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Gas-phase CAM-B3LYP absorption and emission vibronic spectra. The... | Download Scientific Diagram
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Molecules | Free Full-Text | A DFT Study on the Excited Electronic States of Cyanopolyynes: Benchmarks and Applications
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Influence of gaussian broadening on Franck-Condon lineshapes. B3LYP on... | Download Scientific Diagram
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Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Gaussian 16 Frequently Asked Questions | Gaussian.com
Simulated (TD-CAM-B3LYP/aug-cc-pVDZ) FUV-DUV spectrum of a-crystalline... | Download Scientific Diagram
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Reaction energy benchmarks of hydrocarbon combustion by Gaussian basis and plane wave basis approaches - Ishikawa - 2019 - Journal of Computational Chemistry - Wiley Online Library
Effect of Exchange–correlation Functionals on Ground State Geometries, Optoelectronic and Charge Transfer of Triphenylamine-ba
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Density Functional (DFT) Methods | Gaussian.com
Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP | The Journal of Physical Chemistry B
Simple computational chemistry: DFT advices
Determining the appropriate exchange-correlation functional for time-dependent density functional theory studies of charge-transfer excitations in organic dyes: The Journal of Chemical Physics: Vol 136, No 22
Gaussian 16 Frequently Asked Questions | Gaussian.com
Calculated UV-visible spectra for DPP, PCBM and PDPPCBM using CAM-B3LYP... | Download Scientific Diagram
Los funcionales de intercambio y de correlación
Computational study of linear carbon chain based organic dyes for dye sensitized solar cells - RSC Advances (RSC Publishing) DOI:10.1039/D2RA06767F
How many processors and how much memory should I request for a Gaussian calculation? - Q&A - Ask.Cyberinfrastructure
Magnetochemistry | Free Full-Text | DFT Protocol for EPR Prediction of Paramagnetic Cu(II) Complexes and Application to Protein Binding Sites
