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DFT Modeling of Singlet-Triplet Spin Transitions in Ni(II)-based Macrocyclic-ligand Supramolecular Complexes

Effect of Exchange–correlation Functionals on Ground State Geometries, Optoelectronic and Charge Transfer of Triphenylamine-ba

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

Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect

Molecules | Free Full-Text | A Statistically Supported Antioxidant Activity DFT Benchmark—The Effects of Hartree–Fock Exchange and Basis Set Selection on Accuracy and Resources Uptake

PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar

Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies 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

On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional: The Journal of Chemical Physics: Vol 130, No 19

PDF] UV–Visible Lysine–Glutamate Dimer Excitations in Protein Charge Transfer Spectra: TDDFT Descriptions Using an Optimally Tuned CAM-B3LYP Functional by Imon Mandal, Sutanuka Manna, Ravindra Venkatramani · 10.1021/acs.jpcb.9b07827 · OA.mg

Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions | ACS Omega

Importance of vdW and long-range exchange interactions to DFT-predicted docking energies between plumbagin and cyclodextrins

G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation

Accurate prediction of the properties of materials using the CAM‐B3LYP density functional - Li - 2021 - Journal of Computational Chemistry - Wiley Online Library

2,3-cis-2R,3R-(−)-epiafzelechin-3-O-p-coumarate, a novel flavan-3-ol isolated from Fallopia convolvulus seed, is an estrogen receptor agonist in human cell lines | BMC Complementary Medicine and Therapies | Full Text

Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP - Physical Chemistry Chemical Physics (RSC Publishing)

Stacking of nucleic acid bases: optimization of the computational approach—the case of adenine dimers | SpringerLink

Suggested reading: The quest for a universal density functional: The accuracy of density functionals across a broad spectrum of databases in chemistry. - ppt download

Calculated absorption spectra of the L complex using CAM-B3LYP (green... | Download Scientific Diagram

Accurate prediction of the properties of materials using the CAM-B3LYP Density Functional

Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen

Reactivity of arsenoplatin complex versus water and thiocyanate: a DFT benchmark study | SpringerLink

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

Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells | Scientific Reports

Los funcionales de intercambio y de correlación