Farahnaz Maleki

University of California, Davis

Research Expertise

Materials Chemistry
Catalysis
Physical and Theoretical Chemistry
Electronic, Optical and Magnetic Materials
Surfaces, Coatings and Films
Inorganic Chemistry
Organic Chemistry
Surfaces and Interfaces
Condensed Matter Physics
Computational Mathematics
Biochemistry
History
Spectroscopy
Atomic and Molecular Physics, and Optics
Instrumentation
Analytical Chemistry
Nuclear and High Energy Physics
Radiation

Legacy Map

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Publications

Catalytic applications of {[HMIM]C(NO2)3}: as a nano ionic liquid for the synthesis of pyrazole derivatives under green conditions and a mechanistic investigation with a new approach
RSC Advances
2015
Silica vanadic acid [SiO2–VO(OH)2] as an efficient heterogeneous catalyst for the synthesis of 1,2-dihydro-1-aryl-3H-naphth[1,2-e][1,3]oxazin-3-one and 2,4,6-triarylpyridine derivatives via anomeric based oxidation
RSC Adv.
2015
Synthesis of pyrazole derivatives in the presence of a dioxomolybdenum complex supported on silica-coated magnetite nanoparticles as an efficient and easily recyclable catalyst
RSC Advances
2016
Experimental and theoretical approving of anomeric based oxidation in the preparation of 2-sbstituted benz-(imida, oxa and othia)-zoles using [2,6-DMPy-NO2]C(NO2)3 as a novel nano molten salt catalyst
RSC Advances
2016
[TEATNM] and [TEATCM] as novel catalysts for the synthesis of pyridine-3,5-dicarbonitriles via anomeric-based oxidation
New Journal of Chemistry
2017
Characterization of Acid and Basic Sites on Zirconia Surfaces and Nanoparticles by Adsorbed Probe Molecules: A Theoretical Study
Topics in Catalysis
2020
pH Dependence of MgO, TiO2, and γ-Al2O3 Surface Chemistry from First Principles
The Journal of Physical Chemistry C
2022
Iso-valent doping of reducible oxides: a comparison of rutile (110) and anatase (101) TiO2 surfaces
Journal of Physics: Condensed Matter
2021
Probing the nature of Lewis acid sites on oxide surfaces with 31P(CH3)3 NMR: a theoretical analysis
Physical Chemistry Chemical Physics
2022
Erratum to “Comment on “A convenient method for preparation of 2-amino-4,6- diphenylnicotinonitrile using HBF4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674–680]” [J. Mol. Struct. 1154 (2018) 587–589]
Journal of Molecular Structure
2018
Ultra-High-Field 67Zn and 33S NMR Studies Coupled with DFT Calculations Reveal the Structure of ZnS Nanoplatelets Prepared by an Organometallic Approach
Unknown Venue
Comparison of high-resolution solid-state NMR MQMAS and STMAS methods for half-integer quadrupolar nuclei
Solid State Nuclear Magnetic Resonance
2007
Retraction: [TEATNM] and [TEATCM] as novel catalysts for the synthesis of pyridine-3,5-dicarbonitriles via anomeric-based oxidation
New Journal of Chemistry
2022
Theoretical Study of Conversion and Decay Processes of Excited Triplet and Singlet States in a Thermally Activated Delayed Fluorescence Molecule
Unknown Venue
Measuring Intermolecular Excited State Geometry for Favorable Singlet Fission in Tetracene
The Journal of Physical Chemistry Letters
2024
Ultra-High-Field 67Zn and 33S NMR Studies Coupled with DFT Calculations Reveal the Structure of ZnS Nanoplatelets Prepared by an Organometallic Approach
The Journal of Physical Chemistry C
2023
CO2 Activation on Cu/TiO2 Nanostructures: Importance of Dual Binding Site
Chemistry – A European Journal
2023
Identification of Intermediates in the Reaction Pathway of SO2 on the CaO Surface: From Physisorption to Sulfite to Sulfate
Chemistry – A European Journal
2023
pH- and Facet-Dependent Surface Chemistry of TiO2 in Aqueous Environment from First Principles
ACS Applied Materials & Interfaces
2023
Vibrational Properties of CO Adsorbed on Au Single Atom Catalysts on TiO2(101), ZrO2(101), CeO2(111), and LaFeO3(001) Surfaces: A DFT Study
Topics in Catalysis
2021
A DFT study of formic acid decomposition on the stoichiometric SnO2 surface as a function of iso-valent doping
Surface Science
2022
Cluster Catalysis with Lattice Oxygen: Tracing Oxygen Transport from a Magnetite (001) Support onto Small Pt Clusters
ACS Catalysis
2021
Steric and Orbital Effects Induced by Isovalent Dopants on the Surface Chemistry of ZrO2
ACS Catalysis
2020
17O NMR as a measure of basicity of alkaline-earth oxide surfaces: A theoretical study
The Journal of Chemical Physics
2019
DFT Study of 17O NMR Spectroscopy Applied to Zirconia Surfaces and Nanoparticles
The Journal of Physical Chemistry C
2019
Where and How Does an Organic Molecule Having a C–X Bond Release X– Anion Like an Inorganic Compound? A Theoretical Study
The Journal of Physical Chemistry A
2018
Extension of the atom by atom scheme of counterpoise method and presentation of its new advantages
The Journal of Chemical Physics
2018
Synthesis, characterization and theoretical and fluorescence emission microscopy studies of new Pd/Pt–cyclopropa[60]fullerene complexes: Application of Taguchi method for optimization of parameters in Suzuki–Miyaura reaction
Applied Organometallic Chemistry
2018
Comment on “A convenient method for preparation of 2-amino-4,6-diphenylnicotinonitrile using HBF 4 as an efficient catalyst via an anomeric based oxidation: A joint experimental and theoretical study” [J. Mol. Struct. 1137 (2017) 674-680]
Journal of Molecular Structure
2018
Formation of silicon carbide by laser ablation in graphene oxide-N-methyl-2-pyrrolidone suspension on silicon surface
Applied Surface Science
2018
New Pd/Pt-[60]fullerene complexes of phosphorus ylides as anticancer agents: Cytotoxic investigation and DFT calculations
Journal of Organometallic Chemistry
2018
Pd/Pt metallacyclopropa[60]fullerene complexes bearing versatile phosphorous ylide ligands; a comprehensive multi-spectroscopic, electrochemistry, theoretical and catalytic studies
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
2018
Support effects and reaction mechanism of acetylene trimerization over silica-supported Cu 4 clusters: A DFT study
Surface Science
2018
Synthesis of Indolo[3,2‐b]carbazoles via an Anomeric‐Based Oxidation Process: A Combined Experimental and Computational Strategy
Journal of Heterocyclic Chemistry
2018
Mononuclear palladium(ii) and platinum(ii) complexes of P,C-donor ligands: synthesis, crystal structures, cytotoxicity, and mechanistic studies of a highly stereoselective Mizoroki–Heck reaction
Inorganic Chemistry Frontiers
2017
[60]Fullerene-Based Pd(0) Complexes of Phosphorus Ylides as Efficient Nanocatalyst for Homo- and Heterogeneous Mizoroki–Heck Coupling Reactions
Catalysis Letters
2017
New equation for calculating total interaction energy in one noncyclic ABC triad and new insights into cooperativity of noncovalent bonds
Journal of Computational Chemistry
2016
P,C-Chelation versus P,P-coordination of unsymmetrical phosphorus ylides in palladacyclopropa[60]fullerene complexes; synthetic, spectroscopic, and theoretical studies
Dalton Transactions
2016
The 4s and 3d subshells: Which one fills first in progressing through the periodic table and which one fills first in any particular atom?
Foundations of Chemistry
2016
Probing the effect of arm length and inter- and intramolecular interactions in the formation of Cu(ii) complexes of Schiff base ligands derived from some unsymmetrical tripodal amines
New Journal of Chemistry
2015
The effect of fullerene and some electron donating/withdrawing substituents on the molecular orbitals, strength and the nature of CN bond in a number of RCHNR′ imines: A theoretical study
Computational and Theoretical Chemistry
2015

Education

Bu Ali Sina University

PHD , Chemistry / June, 2018

Hamedan

Experience

University of California, Davis

Researcher / December, 2022 — Present

University of Milano-Bicocca

Research Fellow / January, 2019 — November, 2022

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