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Publications by Carlos V. P. de Melo
Synthesis, Characterization, DFT and Td-dfT Study of the [Fe(mnt)(L)(t-BuNC) 2] Octahedral Complex (L = Phen, Bipy)
Quimica Nova
Chemistry
Related publications
Photochemistry of Methyltrioxorhenium Revisited: A DFT/TD-DFT and CASSCF/MS-CASPT2 Theoretical Study
Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference SpinFlip Time-Dependent DFT (MRSF-TD-DFT) vs SpinFlip TD-DFT
Thiodipropionate ZnII Complexes: Synthesis, DFT Studies, and X-Ray Structure of [{Zn(phen)(H2O)}2(μ-Tdp)2]·3H2O
Zeitschrift fur Anorganische und Allgemeine Chemie
Inorganic Chemistry
DFT/TD-DFT Molecular Design of Porphyrin Analogues for Use in Dye-Sensitized Solar Cells
Physical Chemistry Chemical Physics
Theoretical Chemistry
Astronomy
Physics
Physical
DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-Yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses
Computational Chemistry
Mono- And Diplatinum Polyynediyl Complexes as Potential PushPull Chromophores: Synthesis, Characterization, TD-DFT Modeling, and Photophysical and NLO Properties
Optical Signatures of Borico Dyes: A TD-DFT Analysis
Theoretical Chemistry Accounts
Theoretical Chemistry
Physical
A TD-DFT Study on the Photo-Physico-Chemical Properties of Chrysophanol From Rheum
International Journal of Molecular Sciences
Organic Chemistry
Molecular Biology
Theoretical Chemistry
Inorganic Chemistry
Computer Science Applications
Spectroscopy
Medicine
Catalysis
Physical
The Fluorescence Quenching Phenomenon in Newly Synthesized Blue Fluorescence Protein Molecule Caused by Anchoring Group Substitution: A DFT and TD-DFT Study
RSC Advances
Chemistry
Chemical Engineering
