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Publications by Jamile R. Pavan
Synthesis, Characterization, DFT and Td-dfT Study of the [Fe(mnt)(L)(t-BuNC) 2] Octahedral Complex (L = Phen, Bipy)
Quimica Nova
Chemistry
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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
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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
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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
