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
Importance of vdW and long-range exchange interactions to DFT-predicted docking energies between plumbagin and cyclodextrins
Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions | ACS Omega
PDF) Experimental (FT-IR, Raman and NMR) and Theoretical (B3LYP, B3PW91, M06-2X and CAM-B3LYP) Analyses of P-Tert-Butylphenyl Salicylate | Nuri Öztürk - Academia.edu
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
Calculated absorption spectra of the L complex using CAM-B3LYP (green... | Download Scientific Diagram
Suggested reading: The quest for a universal density functional: The accuracy of density functionals across a broad spectrum of databases in chemistry. - ppt download
Accurate prediction of the properties of materials using the CAM-B3LYP Density Functional
Molecular engineering of indenoindene-3-ethylrodanine acceptors with A2-A1-D-A1-A2 architecture for promising fullerene-free organic solar cells | Scientific Reports
Simple computational chemistry: DFT advices
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
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
Plots of the CAM-B3LYP/6-311G(d,p) molecular orbitals contributing... | Download Scientific Diagram
Simple computational chemistry: DFT advices
A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities - Physical Chemistry Chemical Physics (RSC Publishing)
Benchmarking the Performance of Time-Dependent Density Functional Theory Methods on Biochromophores.,Journal of Chemical Theory and Computation - X-MOL
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
![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
Computed electronic spectrum of 3 at CAM-B3LYP/def2-SVP and frontier... | Download Scientific Diagram
Understanding DFT Calculations of Weak Interactions: Density-Corrected Density Functional Theory
Prof. David J. Tozer - Durham University
