Density functional theory investigation on iridium( iii ) complexes for efficient blue electrophosphorescence - RSC Advances (RSC Publishing) DOI:10.1039/C8RA02858C
a) B3LYP and (b) CAM-B3LYP S 0 → S 1 vibronic spectra computed with:... | Download Scientific Diagram
TD CAM-B3LYP and TD B3LYP S 1 total energy MEPs compared with RI-CC2... | Download Scientific Diagram
IJMS | Free Full-Text | Optical Properties of Silver-Mediated DNA from Molecular Dynamics and Time Dependent Density Functional Theory
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Importance of Dispersion in the Molecular Geometries of Mn(III) Spin Crossover Complexes
Avaliação do funcional CAM-B3LYP e Pseudo-Potenciais pStuttgart no Cálculo de Polarizabilidades Moleculares
Studies of the Ground and Excited-State Surfaces of the Retinal Chromophore using CAM-B3LYP | The Journal of Physical Chemistry B
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
Effect of Exchange–correlation Functionals on Ground State Geometries, Optoelectronic and Charge Transfer of Triphenylamine-ba
Output structures optimized at the CAM-B3LYP/def2tzvpp level of theory... | Download Scientific Diagram
![PDF] A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/5aece2521de4ba4084cb9b44f13cdb20c5c6b556/3-Table1-1.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
Experimental and theoretical DFT (B3LYP, X3LYP, CAM-B3LYP and M06-2X) study on electronic structure, spectral features, hydrogen
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
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
Plots of the CAM-B3LYP/6-311G(d,p) molecular orbitals contributing... | Download Scientific Diagram
Molecules | Free Full-Text | A DFT Study on the Excited Electronic States of Cyanopolyynes: Benchmarks and Applications
Systematic study on the TD-DFT calculated electronic circular dichroism spectra of chiral aromatic nitro compounds: A comparison of B3LYP and CAM- B3LYP - ScienceDirect
Long‐Range Corrected DFT Calculations of First Hyperpolarizabilities and Excitation Energies of Metal Alkynyl Complexes - Kodikara - 2018 - ChemPhysChem - Wiley Online Library
Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives - ScienceDirect
Occupied and virtual orbitals (CAM-B3LYP level of theory) giving the... | Download Scientific Diagram
CAM-B3LYP/def2-TZVPP profiles of the potential energy surfaces for... | Download Scientific Diagram
TD-DFT (CAM-B3LYP)/3-21G ECD spectra of (a) oligomers of different... | Download Scientific Diagram
