Amanote Research
Register
Sign In
Discover open access scientific publications
Search, annotate, share and cite publications
Publications by Adilson A. Freitas
A Computational Study of Substituted Flavylium Salts and Their Quinonoidal Conjugate-Bases: S0 -> S1 Electronic Transition, Absolute pKa and Reduction Potential Calculations by DFT and Semiempirical Methods
Journal of the Brazilian Chemical Society
Chemistry
Related publications
First-Principles Electronic Structure Calculations of Strongly Correlated Electron Systems: DFT+U and DFT+DMFT
Physics and High Technology
Electronic Spectra of Nitrosyl Chloride: A Reinvestigation Using Coupled Cluster and DFT Calculations
Revista Processos Químicos
Study of 5-Azidomethyl-8-Hydroxyquinoline Structure by X-Ray Diffraction and HF–DFT Computational Methods
Russian Journal of Physical Chemistry A
Theoretical Chemistry
Physical
Jet Spectroscopy of Buckybowl: Electronic and Vibrational Structures in the S0 and S1 States of Triphenylene and Sumanene
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
Association of Aescin With Β- And Γ-Cyclodextrins Studied by DFT Calculations and Spectroscopic Methods
Beilstein Journal of Nanotechnology
Electronic Engineering
Materials Science
Nanoscience
Electrical
Nanotechnology
Astronomy
Physics
Prediction of pKa Values for Druglike Molecules Using Semiempirical Quantum Chemical Methods
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
Theoratical Calculations of LASO Molecule by Using DFT/B3LYP and DFT/HSEH1PBE Levels
Sakarya University Journal of Science
DFT Energy Surfaces for Aminopurine Homodimers and Their Conjugate Acid Ions
Structures and Electronic Properties of DNA Binding Site in Transcription OmpR Family: Semiempirical Molecular Orbital Calculations
Journal of Computer Aided Chemistry
