Accurate prediction of the properties of materials using the CAM-B3LYP Density Functional
Influence of gaussian broadening on Franck-Condon lineshapes. B3LYP on... | Download Scientific Diagram
Calculated UV-visible spectra for DPP, PCBM and PDPPCBM using CAM-B3LYP... | Download Scientific Diagram
Accurate prediction of the properties of materials using the CAM-B3LYP Density Functional
Gaussian 16 Frequently Asked Questions | Gaussian.com
Reaction energy benchmarks of hydrocarbon combustion by Gaussian basis and plane wave basis approaches - Ishikawa - 2019 - Journal of Computational Chemistry - Wiley Online Library
Gas-phase CAM-B3LYP absorption and emission vibronic spectra. The... | Download Scientific Diagram
Hydrazone-based Materials; DFT, TD-DFT, NBO Analysis, Fukui Function, MESP Analysis, and Solar Cell Applications | SpringerLink
How many processors and how much memory should I request for a Gaussian calculation? - Q&A - Ask.Cyberinfrastructure
Gaussian 16 Frequently Asked Questions | Gaussian.com
Plots of the CAM-B3LYP/6-311G(d,p) molecular orbitals contributing... | Download Scientific Diagram
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Small Games with Gaussian (4) – Poetry in Physics
Magnetochemistry | Free Full-Text | DFT Protocol for EPR Prediction of Paramagnetic Cu(II) Complexes and Application to Protein Binding Sites
Gaussian 16 Frequently Asked Questions | Gaussian.com
Gaussian 16 Frequently Asked Questions | Gaussian.com
Density Functional (DFT) Methods | Gaussian.com
Accurate Molecular Geometries in Complex Excited-State Potential Energy Surfaces from Time-Dependent Density Functional Theory | Journal of Chemical Theory and Computation
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
Computational study of linear carbon chain based organic dyes for dye sensitized solar cells - RSC Advances (RSC Publishing) DOI:10.1039/D2RA06767F
CONFLEX Interface Manual
Los funcionales de intercambio y de correlación
Gaussian 16 Frequently Asked Questions | Gaussian.com
Simple computational chemistry: DFT advices
ASM2019: Poster (P63)
Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives - ScienceDirect
