G4 accuracy at DFT cost: unlocking accurate redox potentials for organic molecules using systematic error cancellation
Calculated absorption spectra of the L complex using CAM-B3LYP (green... | Download Scientific Diagram
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
Understanding DFT Calculations of Weak Interactions: Density-Corrected Density Functional Theory
Prof. David J. Tozer - Durham University
Non-empirical tuning of CAM-B3LYP functional in time-dependent density functional theory for excitation energies of diarylethene derivatives - 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
Los funcionales de intercambio y de correlación
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
A new tuned range-separated density functional for the accurate calculation of second hyperpolarizabilities - Physical Chemistry Chemical Physics (RSC Publishing)
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
Importance of vdW and long-range exchange interactions to DFT-predicted docking energies between plumbagin and cyclodextrins
![PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/5aece2521de4ba4084cb9b44f13cdb20c5c6b556/3-Figure2-1.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
IJMS | Free Full-Text | Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory
TD CAM-B3LYP and TD B3LYP S 1 total energy MEPs compared with RI-CC2... | Download Scientific Diagram
CAM-B3LYP/def2-TZVPP profiles of the potential energy surfaces for... | Download Scientific Diagram
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
![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
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
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
Simple computational chemistry: DFT advices
