Testing exchange–correlation functionals at fractional electron numbers | Theoretical Chemistry Accounts
Effect of Exchange–correlation Functionals on Ground State Geometries, Optoelectronic and Charge Transfer of Triphenylamine-ba
a) B3LYP and (b) CAM-B3LYP S 0 → S 1 vibronic spectra computed with:... | Download Scientific Diagram
Molecules | Free Full-Text | A DFT Study on the Excited Electronic States of Cyanopolyynes: Benchmarks and Applications
Output structures optimized at the CAM-B3LYP/def2tzvpp level of theory... | Download Scientific Diagram
Density Functional Theory for Charge Transfer: The Nature of the N-Bands of Porphyrins and Chlorophylls Revealed through CAM-B3LYP, CASPT2, and SAC-CI Calculations | The Journal of Physical Chemistry B
Molecules | Free Full-Text | Designing Efficient Metal-Free Dye-Sensitized Solar Cells: A Detailed Computational Study
The optimized geometry structure using DFT/CAM-B3LYP with the... | Download Scientific Diagram
CAM-B3LYP Delivers Substantial Improvements to DFT and G0W0 Predictions of Bandgap and Spectroscopic Properties of 2D and 3D Materials | Research NYU Shanghai
Density functional theory investigation on iridium( iii ) complexes for efficient blue electrophosphorescence - RSC Advances (RSC Publishing) DOI:10.1039/C8RA02858C
Importance of Dispersion in the Molecular Geometries of Mn(III) Spin Crossover Complexes
Full article: Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen bonding and solvent effects of 4-methylthiadiazole-5-carboxylic acid
TD-DFT (CAM-B3LYP)/3-21G ECD spectra of (a) oligomers of different... | Download Scientific Diagram
Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen
Avaliação do funcional CAM-B3LYP e Pseudo-Potenciais pStuttgart no Cálculo de Polarizabilidades Moleculares
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions | ACS Omega
Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids - Pezzola - 2024 - Chemistry – A European Journal - Wiley Online Library
Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives - ScienceDirect
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
![PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/5aece2521de4ba4084cb9b44f13cdb20c5c6b556/4-Table3-1.png "PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar")
PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar
Easy to Use DFT Approach for Computational pKa Determination of Carboxylic Acids - Pezzola - 2024 - Chemistry – A European Journal - Wiley Online Library
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies of diarylethene derivatives - ScienceDirect
Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP | The Journal of Physical Chemistry B
IJMS | Free Full-Text | Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory
Simple computational chemistry: DFT advices
