Viktorya Aviyente
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Turkish computational chemist
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Chemistry
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Chemistry
Viktorya Aviyente's Degrees
- PhD Chemistry Middle East Technical University
- Masters Chemistry Middle East Technical University
- Bachelors Chemistry Middle East Technical University
Why Is Viktorya Aviyente Influential?
(Suggest an Edit or Addition)According to Wikipedia, Viktorya Aviyente is a Turkish computational chemist. Aviyente is a professor emeritus at Boğaziçi University. Her research interests include computational chemistry and molecular modelling. Aviyente completed a B.S. , M.S. , and Ph.D. in chemistry at Boğaziçi University.
Viktorya Aviyente's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Role of Chain Transfer Agents in Free Radical Polymerization Kinetics (2010) (154)
- Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms. (2009) (100)
- Experimental and modeling approach to decolorization of azo dyes by ultrasound: degradation of the hydrazone tautomer. (2005) (65)
- Lewis acid catalysis alters the shapes and products of bis-pericyclic Diels-Alder transition states. (2007) (58)
- DFT Study on the Propagation Kinetics of Free-Radical Polymerization of α-Substituted Acrylates (2009) (57)
- Effect of cooperative hydrogen bonding in azo-hydrazone tautomerism of azo dyes. (2007) (55)
- Modeling the Oxidative Degradation of Azo Dyes: A Density Functional Theory Study (2003) (55)
- Solvent effects on glycine II. Water‐assisted tautomerization (2004) (54)
- Solvent effects on glycine. I. A supermolecule modeling of tautomerization via intramolecular proton transfer (2003) (54)
- Reaction mechanism of deamidation of asparaginyl residues in peptides: effect of solvent molecules. (2006) (51)
- Computational study on nonenzymatic peptide bond cleavage at asparagine and aspartic acid. (2008) (45)
- Elimination of water from the carboxyl group of GlyGlyH+ (2003) (44)
- Effect of Lewis acid catalysts on Diels-Alder and hetero-Diels-Alder cycloadditions sharing a common transition state. (2008) (43)
- Computational Studies on Cinchona Alkaloid-Catalyzed Asymmetric Organic Reactions. (2016) (41)
- Interpretation of hydrogen bonding in the weak and strong regions using conceptual DFT descriptors. (2006) (39)
- Modeling the Substituent Effect on the Oxidative Degradation of Azo Dyes (2004) (37)
- Analysis of Substituent Effects on the Claisen Rearrangement with Ab Initio and Density Functional Theory (1997) (37)
- Photophysical and Photochemical Studies of Novel Thioxanthone-Functionalized Methacrylates through LED Excitation (2016) (37)
- Sonochemical degradation of diclofenac: byproduct assessment, reaction mechanisms and environmental considerations (2014) (34)
- Structures and reactivity of gaseous glycine and its derivatives (2000) (34)
- Density Functional Theory Study of Free-Radical Polymerization of Acrylates and Methacrylates: Structure−Reactivity Relationship (2007) (33)
- Modeling the Solvent Effect on the Tacticity in the Free Radical Polymerization of Methyl Methacrylate (2010) (32)
- Peptide nanotube formation: a crystal growth process (2012) (32)
- Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study. (2003) (30)
- Cyano, Amino, and Trifluoromethyl Substituent Effects on the Claisen Rearrangement (2001) (28)
- Detection of Nitroaromatic Explosives Based on Fluorescence Quenching of Silafluorene- and Silole-Containing Polymers: A Time-Dependent Density Functional Theory Study (2014) (28)
- Assessing One- and Two-Photon Optical Properties of Boron Containing Arenes (2016) (28)
- Efficient Free-Radical Cyclopolymerization of Oriented Styrenic Difunctional Monomers (2009) (28)
- Conformational properties of amphotericin B amide derivatives – impact on selective toxicity (2000) (26)
- Cyclopolymerization reactions of diallyl monomers: exploring electronic and steric effects using DFT reactivity indices. (2009) (26)
- Modeling the free radical polymerization of acrylates (2005) (25)
- Design of donor-acceptor copolymers for organic photovoltaic materials: a computational study. (2018) (25)
- Computational study of factors controlling the boat and chair transition states of Ireland-Claisen rearrangements. (2010) (25)
- Transition-state switchings for single potential well ionic dissociations (1991) (24)
- Mechanism and selectivity of cinchona alkaloid catalyzed [1,3]-shifts of allylic trichloroacetimidates. (2009) (24)
- Theoretical study of hydrogen abstraction from dimethyl ether and methyl tert-butyl ether by hydroxyl radical (2002) (22)
- Hydroxyl radical-mediated degradation of diclofenac revisited: a computational approach to assessment of reaction mechanisms and by-products (2017) (22)
- Controlling the tacticity in the polymerization of N-isopropylacrylamide: A computational study (2011) (21)
- Origins of the solvent effect on the propagation kinetics of acrylic acid and methacrylic acid (2013) (21)
- Modelling the hydrolysis of succinimide: formation of aspartate and reversible isomerization of aspartic acid via succinimide. (2003) (20)
- Modeling the deamidation of asparagine residues via succinimide intermediates (2001) (20)
- Nickel(II)–PPh3 Complexes of S,N‐Substituted Thiosemicarbazones – Structure, DFT Study, and Catalytic Efficiency (2016) (18)
- Free radical polymerization of ethyl methacrylate and ethyl α-hydroxy methacrylate: A computational approach to the propagation kinetics (2012) (18)
- A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso‐Anhydrides by Chiral Amino Alcohols (2010) (17)
- Theoretical Study on the Alkaline and Neutral Hydrolysis of Succinimide Derivatives in Deamidation Reactions (2002) (17)
- Quorum‐sensing inhibitor potential of trans‐anethole aganist Pseudomonas aeruginosa (2018) (17)
- Exploring the Photophysics of Polyfluorinated Phthalocyanine Derivatives as Potential Theranostic Agents (2019) (17)
- Solvent effects on free-radical copolymerization of styrene and 2-hydroxyethyl methacrylate: a DFT study (2014) (17)
- Understanding the Impact of Thiophene/Furan Substitution on Intrinsic Charge-Carrier Mobility (2017) (17)
- Causation in a cascade: the origins of selectivities in intramolecular nitrone cycloadditions. (2012) (17)
- Origins of the diastereoselectivity in hydrogen bonding directed Diels-Alder reactions of chiral dienes with achiral dienophiles: a computational study. (2011) (17)
- Photophysical, kinetic and thermodynamic study of one-component Type II thioxanthone acetic acid photoinitiators (2020) (16)
- Theoretical investigation of thiol-ene click reactions: A DFT perspective (2019) (16)
- Tandem mass spectrometry studies of acetone and acetone/water cluster ions (1991) (16)
- Computational Insight into the Explosive Detection Mechanisms in Silafluorene- and Silole-Containing Photoluminescent Polymers (2014) (16)
- A theoretical study on the mechanism of the cyclopolymerization of diallyl monomers. (2003) (14)
- Theoretical study of factors controlling rates of cyclization of radical intermediates from diallylamine and diallylammonium monomers in radical polymerizations. (2002) (14)
- Structure-reactivity relationships of novel monomeric photoinitiators (2016) (13)
- Why does Asn71 deamidate faster than Asn15 in the enzyme triosephosphate isomerase? Answers from microsecond molecular dynamics simulation and QM/MM free energy calculations. (2015) (13)
- Solvent-catalyzed ring-chain-ring tautomerization in axially chiral compounds. (2012) (13)
- The origin of exo-stereoselectivity of norbornene in hetero Diels-Alder reactions. (2014) (13)
- Synthesis and modeling of new phosphorus‐containing acrylates (2005) (13)
- Rationalizing the regioselectivity of cationic ring-opening polymerization of benzoxazines (2018) (12)
- A quantum mechanical approach to the kinetics of the hydrogen abstraction reaction H2O2 + •OH → HO2 + H2O (2005) (12)
- Understanding the stereoselection induced by chiral anthracene templates in Diels-Alder cycloaddition: a DFT study. (2009) (11)
- Cinchona Alkaloid Catalyzed Asymmetric Desymmetrization of meso‐Cyclic Anhydrides: The Origins of Stereoselectivity (2015) (11)
- Modeling the effect of substitution on the Pb(OAc)4 mediated oxidative cleavage of steroidal 1,2-diols. (2005) (11)
- A Computational Study on the Substituent Effect of Diallylamine Monomers in Their Cyclopolymerization Reactions (2002) (10)
- Structures and energetics of proton-bound formic acid--water clusters, (HCOOH)n(H2O)H+ (1997) (10)
- Multiscale modeling of poly(2-isopropyl-2-oxazoline) chains in aqueous solution (2017) (10)
- A blind SAMPL6 challenge: insight into the octanol-water partition coefficients of drug-like molecules via a DFT approach (2020) (10)
- Barriers to internal rotation around the C-N bond in 3-(o-aryl)-5-methyl-rhodanines using NMR spectroscopy and computational studies. Electron density topological analysis of the transition states. (2004) (10)
- A DFT STUDY OF CARBONYL OXIDE AND ITS METHYL-SUBSTITUTED ANALOGUES IN SOLUTION (1998) (10)
- Lead tetraacetate mediated one-pot multistage transformations: theoretical studies on the diverging behavior in the Hajos-Parrish and Wieland-Miescher series. (2002) (10)
- Modeling the cyclopolymerization of diallyl ether and methyl α-[(allyloxy)methyl]acrylate (2007) (10)
- Modeling Proton-Bound Methanol, Ammonia, and Amine Complexes of 12-Crown-4-Ether and Dimethoxyethane (“Glyme”) Using Density Functional Theory (1998) (10)
- Claisen rearrangement of aliphatic allyl vinyl ethers in the presence of copper(II) bisoxazoline. (2008) (10)
- Conformational equilibria of α-substituted carbonyl compounds. Study of solvent effects (1993) (9)
- Structure–reactivity relationships of alkyl α‐hydroxymethacrylate derivatives (2011) (9)
- Solvent Effects on Thiol-Ene Kinetics and Reactivity of Carbon and Sulfur Radicals. (2020) (9)
- Structures, Energetics, and Reactions of Proton-Bound Hydrazine Clusters (1995) (9)
- Electronic Structure of Atomically Dispersed Supported Iridium Catalyst Controls Iridium Aggregation (2020) (9)
- Local vibrational mode analysis of ion-solvent and solvent-solvent interactions for hydrated Ca2+ clusters. (2020) (9)
- Insertion of Amines and Alcohols into Proton-Bound Dimers. A Density Functional Study (1997) (9)
- A computational approach to the polymerizabilities of diallylamines (2001) (8)
- Cyclization tendencies in the free radical polymerization of allyl acrylate derivatives: A computational study (2011) (8)
- Photophysical Properties of Benzophenone-Based TADF Emitters in Relation to Their Molecular Structure (2021) (8)
- AB INITIO STUDY ON THE CONFORMATIONAL BEHAVIOUR OF ETHANE-1,1-DIOL and ETHANE-1,1,2-TRIOL IN SOLUTION (1997) (8)
- Modeling the stereoselectivity of the Johnson-Claisen rearrangements in the Danishefsky synthesis of gelsemine. (2005) (8)
- SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules (2021) (8)
- Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction. (2015) (8)
- Solvent effect on the synthesis of clarithromycin: A molecular dynamics study (2004) (7)
- A Computational Study of the Wallach Rearrangement (1998) (7)
- Origin of diastereoselectivity in the synthesis of chiral bicyclic lactams: pi-facial selective attack of singlet oxygen induced by hindered internal rotation. (2007) (7)
- Electrostatic solvent effects on the conversion of substituted carbonyl oxides to dioxiranes (2001) (7)
- Hydroxyl radical-mediated degradation of salicylic acid and methyl paraben: an experimental and computational approach to assess the reaction mechanisms (2019) (7)
- Theoretical study of isomeric clusters of protonated acetone (1992) (7)
- Modeling the selective methylation in the synthesis of clarithromycin (2002) (7)
- Kinetic energy release measurements with an ion trapping device and time-resolved ion momentum spectrometry (trims) (1986) (7)
- Selectivity in the aggregates of the chiral organolithium N-Boc-2-lithiopiperidine with a chiral ligand: a DFT study (2012) (7)
- First RAFT polymerization of captodative 2-acetamidoacrylic acid (AAA) monomer: An experimental and theoretical study (2013) (7)
- Solvent effect on the conformational behavior of substituted spiro[4.5]decanes and spiro[5.5]undecanes (1995) (7)
- Theoretical approach to the wear and tear mechanism in triosephoshate isomerase: A QM/MM study (2004) (6)
- Organocatalysts in Ring-Opening Polymerization: Revealing Their Effect on Stereochemistry (2019) (6)
- Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization (2021) (6)
- Effect of Solvation on Ozonolysis Reaction Intermediates and Transition States (2000) (6)
- An ab initio study of the formation of alkoxy radicals by reactions of simple alkenes with the OH radical (2001) (6)
- A computational study on the reactivity enhancement in the free radical polymerization of alkyl α‐hydroxymethacrylate and acrylate derivatives (2013) (6)
- Activity of Topotecan toward the DNA/Topoisomerase I Complex: A Theoretical Rationalization. (2018) (6)
- Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors (2012) (5)
- Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model (2005) (5)
- Initiation of the reaction of deamidation in triosephosphate isomerase: investigations by means of molecular dynamics simulations. (2012) (5)
- 1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides. (2017) (5)
- Conformational equilibria of 5-substituted 1,3-dioxanes. study of solvent effects (1993) (5)
- Conformational behavior of 2-dimethylamino-1,3-dithiane in solution (1997) (5)
- Analysis of the kinetics of the thermal decomposition of pentafluoroethane (1990) (5)
- Using Atomic Charges to Describe the pKa of Carboxylic Acids (2020) (5)
- Time-dependent mass spectra and breakdown graphs. 11. Time-resolved ion momentum spectrometry of anisole (1988) (4)
- Influence of odd–even effect and intermolecular interactions in 2D molecular layers of bisamide organogelators (2018) (4)
- The efficient cyclopolymerization of silyl‐tethered styrenic difunctional monomers (2018) (4)
- How substitution tunes the electronic and transport properties of oligothiophenes, oligoselenophenes and oligotellurophenes (2015) (4)
- Bismuth nitrate-promoted disproportionative condensation of indoles with cyclohexanone: a new-type azafulvenium reactivity of indole (2017) (4)
- Hybrid Usage of Computational Tools in Drug Synthesis (2007) (4)
- A computational approach to the free radical polymerization kinetics of alkyl α‐hydroxymethacrylate monomers: A structure–reactivity relationship (2013) (4)
- How does the OH group affect the conversion of carbonyl oxide to dioxirane (2000) (3)
- Oxygen donor potential of carbonyl oxide and dioxirane: a DFT study (1999) (3)
- Conformational analysis of 2-cyano-1,1-dihydroxyethane in solution (1996) (3)
- Elucidation of the atroposelectivity in the synthesis of axially chiral thiohydantoin derivatives. (2020) (3)
- Binding of self-etching monomers to hydroxyapatite: A computational approach (2020) (2)
- Assessing protein–ligand binding modes with computational tools: the case of PDE4B (2017) (2)
- Conformational analysis of 2-substituted-l,3-diheteroanes. A theoretical study of solvent effects (1997) (2)
- Relationship Between the Free Radical Polymerization Rates of Methacrylates and the Chemical Properties of their Monomeric Radicals (2015) (2)
- Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA‐1 (2015) (2)
- Computational study of alkyllithium/pyridine derivative systems as initiators for the living anionic polymerization of methyl methacrylates (2005) (2)
- Solvent effects on glycine. I. A supermolecule modeling of tautomerization via intramolecular proton transfer (2003) (2)
- A computational approach to the synthesis of dirithromycin (2004) (2)
- Pyrolysis of Alkanes: A Computational Approach. (2020) (2)
- Effect of Lewis acids on the stereoregularity of N,N-dimethyl acrylamide: A computational approach (2016) (2)
- Understanding the mode of action of ThDP in benzoylformate decarboxylase. (2010) (2)
- Protonated aldehyde clusters: a semiempirical approach (1993) (2)
- Prediction of the 1H NMR spectra of epoxy-fused cyclopentane derivatives by calculations of chemical shifts and spin–spin coupling constants (2013) (1)
- Computational study of the synthesis of benzoin derivatives from benzil (2006) (1)
- Computational study of the anomeric effect in 2-[(4-substituted phenyl)seleno]-1,3-dithianes (1998) (1)
- Theoretical study of selective methylation in the synthesis of azithromycin (2004) (1)
- Elucidation of the Mechanism of Silver‐Catalyzed Inverse Electron‐Demand Diels‐Alder (IEDDA) Reaction of 1,2‐Diazines and Siloxy Alkynes (2020) (1)
- Role of the n+1 amino acid residue on the deamidation of asparagine in pentapeptides (2015) (1)
- Origins of the photoinitiation capacity of aromatic thiols as photoinitiatiors: a computational study. (2021) (1)
- Shell-like Features and Charge Localization in Protonated Helium Clusters: a Density Functional Study (2000) (1)
- Tandem mass spectrometry by time-resolved Ion momentum spectrometry (1988) (1)
- A semiempirical study of protonated ammonia-triethylamine clusters (1994) (1)
- A DFT approach to discriminate the antagonist and partial agonist activity of ligands binding to the NMDA receptor (2018) (1)
- Computational Studies on Cinchona Alkaloid-Catalyzed Asymmetric Organic Reactions (2016) (1)
- Origins of the deamidation in peptides and TPI (2012) (0)
- Influence of ionic liquids on the electronic environment of atomically dispersed Ir on (MgO)(100). (2022) (0)
- RESEARCH ARTICLE Prediction of the 1 H NMR spectra of epoxy-fused cyclopentane derivatives by calculations of chemical shifts and spin-spin coupling constants (2013) (0)
- Analysis of Substituent Effects on the Claisen Rearrangement with ab initio and Density Functional Theory. (1998) (0)
- ect and intermolecular interactions in 2 D molecular layers of bisamide organogelators † (2018) (0)
- Theoretical Investigation of the Biogenetic Pathway for Formation of Antibacterial Indole Alkaloids from Voacanga africana (2022) (0)
- Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives. (2023) (0)
- Investigation of Iron Release from the N- and C- Lobes of Human Serum Transferrin by Quantum Chemical Calculations (2022) (0)
- Computational Study of Photo-Oxidative Degradation Mechanisms of Boron-Containing Oligothiophenes. (2020) (0)
- QM/MM Meta-Dynamics Study of Asparagine Deamidation in Proteins (2009) (0)
- 2-Nitroethanal conformations in solution: AnAb initio SCRF study (1994) (0)
- A computational study on the conformational behaviour of 1,1,2-trihydroxyethane in solution (1997) (0)
- Time-Dependent Mass Spectra and Breakdown Graphs. Part 11. Time-Resolved Ion Momentum Spectrometry of Anisole (1989) (0)
- Kinetic Investigation of the Pyrolysis of Naphthenic Acids (2023) (0)
- Rhenium(V) Complexes Containing Mono- and Tridentate Imido Ligands: Crystal Structures, Spectroscopic Results and DFT Optimization (2014) (0)
- Computational descriptor analysis on excited state behaviours of a series of TADF and non-TADF compounds. (2021) (0)
- A study on the structures of the substituted (aminomethyl)lithium and (thiomethyl)lithium compounds (2002) (0)
- Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA-1 (Eur. J. Org. Chem. 6/2015) (2015) (0)
- Solvent dependent hindered rotation versus epimerization in axially chiral thiohydantoin derivatives: an experimental and a computational study. (2022) (0)
- A computational study of the conformational equilibria of α-phenoxy, α-phenylthio, α-phenylseleno substituted cyclohexanones (2000) (0)
- DFT-based elucidation of asparagine deamidation in peptides (2010) (0)
- A computational study of the reactivity of diethenylnaphthalenes towards anionic polymerization (1999) (0)
- Solvent Effect on Vibrational Frequencies of Substituted Acetaldehydes (1993) (0)
- Role of ionic liquids on the selectivity and the rate of organic reactions: A computational approach. (2019) (0)
- Cover Picture: A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso-Anhydrides by Chiral Amino Alcohols (ChemCatChem 9/2010) (2010) (0)
- THE GTP HYDROLYSIS MECHANISM IN ELONGATION FACTOR –TU (EFTU) (2015) (0)
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