V. Aviyente

发表

A quantum mechanical approach to the kinetics of the hydrogen abstraction reaction H2O2 + •OH → HO2 + H2O

A. S. Özen, F. Atadinc, H. Günaydin, 2005 .

1,3-Dipolar Cycloaddition Reactions of Low-Valent Rhodium and Iridium Complexes with Arylnitrile N-Oxides.

K. Houk, M. Hawthorne, F. Liu, 2017, The Journal of organic chemistry.

Why does Asn71 deamidate faster than Asn15 in the enzyme triosephosphate isomerase? Answers from microsecond molecular dynamics simulation and QM/MM free energy calculations.

Viktorya Aviyente, Gerald Monard, Antoine Marion, 2015, Biochemistry.

Modeling the selective methylation in the synthesis of clarithromycin

C. Baysal, V. Aviyente, D. Duran, 2002 .

Elimination of water from the carboxyl group of GlyGlyH+

B. Balta, V. Aviyente, C. Lifshitz, 2003, Journal of the American Society for Mass Spectrometry.

A computational approach to the synthesis of dirithromycin

C. Baysal, V. Aviyente, D. Duran, 2004, Journal of molecular modeling.

Causation in a cascade: the origins of selectivities in intramolecular nitrone cycloadditions.

K. Houk, A. Holmes, V. Aviyente, 2012, Journal of the American Chemical Society.

Role of Chain Transfer Agents in Free Radical Polymerization Kinetics

V. Aviyente, I. Ugur, Isa Degirmenci, 2010 .

Understanding the Impact of Thiophene/Furan Substitution on Intrinsic Charge-Carrier Mobility

V. Aviyente, I. Yavuz, H. T. Turan, 2017 .

Nickel(II)–PPh3 Complexes of S,N‐Substituted Thiosemicarbazones – Structure, DFT Study, and Catalytic Efficiency

V. Aviyente, O. Karahan, B. Ülküseven, 2016 .

Computational Insight into the Explosive Detection Mechanisms in Silafluorene- and Silole-Containing Photoluminescent Polymers

A. S. Özen, V. Aviyente, B. Dedeoglu, 2014 .

Detection of Nitroaromatic Explosives Based on Fluorescence Quenching of Silafluorene- and Silole-Containing Polymers: A Time-Dependent Density Functional Theory Study

A. S. Özen, V. Aviyente, B. Dedeoglu, 2014 .

A DFT STUDY OF CARBONYL OXIDE AND ITS METHYL-SUBSTITUTED ANALOGUES IN SOLUTION

Cenk Selçuki, V. Aviyente, 1998 .

Solvent Effects on Thiol-Ene Kinetics and Reactivity of Carbon and Sulfur Radicals.

V. Aviyente, Isa Degirmenci, Ipek Munar, 2020, The journal of physical chemistry. A.

A computational approach to the free radical polymerization kinetics of alkyl α‐hydroxymethacrylate monomers: A structure–reactivity relationship

V. Aviyente, Mehtap Işık, O. Karahan, 2013 .

A computational study on the reactivity enhancement in the free radical polymerization of alkyl α‐hydroxymethacrylate and acrylate derivatives

V. Aviyente, F. Bickelhaupt, O. Karahan, 2013 .

Role of ionic liquids on the selectivity and the rate of organic reactions: A computational approach.

V. Aviyente, S. A. Cinar, Deniz Akgül, 2019, Journal of molecular graphics & modelling.

Assessing One- and Two-Photon Optical Properties of Boron Containing Arenes

V. Aviyente, A. Monari, M. Pastore, 2016 .

Computational study of the synthesis of benzoin derivatives from benzil

C. Unaleroglu, V. Aviyente, K. Topal, 2006 .

Computational Study of Photo-Oxidative Degradation Mechanisms of Boron-Containing Oligothiophenes.

V. Aviyente, A. Monari, H. T. Turan, 2020, The journal of physical chemistry. A.

Theoretical investigation of thiol-ene click reactions: A DFT perspective

V. Aviyente, S. Catak, Isa Degirmenci, 2019, European Polymer Journal.

Structure–reactivity relationships of alkyl α‐hydroxymethacrylate derivatives

V. Aviyente, O. Karahan, D. Avci, 2011 .

Free radical polymerization of ethyl methacrylate and ethyl α-hydroxy methacrylate: A computational approach to the propagation kinetics

V. V. Speybroeck, V. Aviyente, M. Waroquier, 2012 .

Using Atomic Charges to Describe the pKa of Carboxylic Acids

G. Monard, V. Aviyente, Z. P. Haslak, 2020, J. Chem. Inf. Model..

Sonochemical degradation of diclofenac: byproduct assessment, reaction mechanisms and environmental considerations

R. Kidak, V. Aviyente, N. Ince, 2014, Environmental Science and Pollution Research.

Cyclization tendencies in the free radical polymerization of allyl acrylate derivatives: A computational study

V. Aviyente, I. Ugur, Mehtap Işık, 2011 .

Effect of Lewis acids on the stereoregularity of N,N-dimethyl acrylamide: A computational approach

V. V. Speybroeck, V. Aviyente, M. Waroquier, 2016 .

Electronic Structure of Atomically Dispersed Supported Iridium Catalyst Controls Iridium Aggregation

B. Gates, Alper Uzun, S. Bare, 2020 .

Organocatalysts in Ring-Opening Polymerization: Revealing Their Effect on Stereochemistry

V. Aviyente, D. Akgul, Deniz Akgül, 2019 .

Tandem mass spectrometry by time-resolved Ion momentum spectrometry

V. Aviyente, C. Lifshitz, N. Ohmichi, 1988 .

Kinetic energy release measurements with an ion trapping device and time-resolved ion momentum spectrometry (trims)

V. Aviyente, C. Lifshitz, M. Shaked, 1986 .

Theoretical study of hydrogen abstraction from dimethyl ether and methyl tert-butyl ether by hydroxyl radical

Cenk Selçuki, F. Atadinc, V. Aviyente, 2002 .

Structures and reactivity of gaseous glycine and its derivatives

B. Balta, V. Aviyente, C. Zhu, 2000 .

Insertion of Amines and Alcohols into Proton-Bound Dimers. A Density Functional Study

V. Aviyente, Jan M. L. Martin, C. Lifshitz, 1997 .

The efficient cyclopolymerization of silyl‐tethered styrenic difunctional monomers

D. Pasini, A. Nitti, V. Aviyente, 2018 .

Oxygen donor potential of carbonyl oxide and dioxirane: a DFT study

Cenk Selçuki, V. Aviyente, 1999 .

Conformational equilibria of α-substituted carbonyl compounds. Study of solvent effects

T. Varnali, V. Aviyente, M. Ruiz‐López, 1993 .

2-Nitroethanal conformations in solution: AnAb initio SCRF study

T. Varnali, V. Aviyente, M. Ruiz‐López, 1994 .

Cyano, Amino, and Trifluoromethyl Substituent Effects on the Claisen Rearrangement

K. Houk, V. Aviyente, 2001 .

Computational Studies on Cinchona Alkaloid-Catalyzed Asymmetric Organic Reactions.

V. Aviyente, Gamze Tanriver, S. Catak, 2016, Accounts of chemical research.

How does the OH group affect the conversion of carbonyl oxide to dioxirane

Cenk Selçuki, V. Aviyente, 2000 .

Theoretical Investigation of the Biogenetic Pathway for Formation of Antibacterial Indole Alkaloids from Voacanga africana

V. Aviyente, B. Dedeoglu, D. Tantillo, 2022, ACS omega.

Elucidation of the Mechanism of Silver‐Catalyzed Inverse Electron‐Demand Diels‐Alder (IEDDA) Reaction of 1,2‐Diazines and Siloxy Alkynes

Viktorya Aviyente, Öyküm Naz Avcı, Saron Catak, 2020, ChemCatChem.

Coupling of structural fluctuations to deamidation reaction in triosephosphate isomerase by Gaussian network model

T. Haliloglu, V. Aviyente, F. A. Konuklar, 2005, Proteins.

Peptide nanotube formation: a crystal growth process

Viktorya Aviyente, Ulf Olsson, Seyda Bucak, 2012 .

Bismuth nitrate-promoted disproportionative condensation of indoles with cyclohexanone: a new-type azafulvenium reactivity of indole

V. Aviyente, Haydar Kilic, Sinan Bayindir, 2017 .

A Theoretical Study of the Mechanism of the Desymmetrization of Cyclic meso‐Anhydrides by Chiral Amino Alcohols

K. Houk, V. Aviyente, S. Catak, 2010, ChemCatChem.

Elucidation of the atroposelectivity in the synthesis of axially chiral thiohydantoin derivatives.

G. Monard, V. Aviyente, Sesil Agopcan Cinar, 2020, Organic & biomolecular chemistry.

Lewis acid catalysis alters the shapes and products of bis-pericyclic Diels-Alder transition states.

K. Houk, V. Aviyente, D. Ess, 2007, Journal of the American Chemical Society.

The origin of exo-stereoselectivity of norbornene in hetero Diels-Alder reactions.

V. Aviyente, Sesil Agopcan Cinar, S. Ercan, 2014, Organic & biomolecular chemistry.

Conformational behavior of 2-dimethylamino-1,3-dithiane in solution

Cenk Selçuki, V. Aviyente, 1997 .

Effect of Lewis acid catalysts on Diels-Alder and hetero-Diels-Alder cycloadditions sharing a common transition state.

K. Houk, V. Aviyente, D. Ess, 2008, The Journal of organic chemistry.

Analysis of Substituent Effects on the Claisen Rearrangement with Ab Initio and Density Functional Theory

K. Houk, V. Aviyente, H. Yoo, 1997 .

Claisen rearrangement of aliphatic allyl vinyl ethers in the presence of copper(II) bisoxazoline.

M. Vincent, I. H. Hillier, B. Balta, 2008, The Journal of organic chemistry.

Selectivity in the aggregates of the chiral organolithium N-Boc-2-lithiopiperidine with a chiral ligand: a DFT study

V. Aviyente, B. Dedeoglu, Seref Gul, 2012 .

Origins of the diastereoselectivity in hydrogen bonding directed Diels-Alder reactions of chiral dienes with achiral dienophiles: a computational study.

A. Sanyal, V. Aviyente, Nihan Çelebi-Ölçüm, 2011, Organic and biomolecular chemistry.

Medium-Ring Effects on the Endo/Exo Selectivity of the Organocatalytic Intramolecular Diels-Alder Reaction.

K. Houk, A. Holmes, J. White, 2015, The Journal of organic chemistry.

Mechanism and selectivity of cinchona alkaloid catalyzed [1,3]-shifts of allylic trichloroacetimidates.

K. Houk, V. Aviyente, Nihan Celebi-Olçüm, 2009, The Journal of organic chemistry.

First RAFT polymerization of captodative 2-acetamidoacrylic acid (AAA) monomer: An experimental and theoretical study

H. Acar, V. Aviyente, Gökhan Çaylı, 2013 .

Influence of odd–even effect and intermolecular interactions in 2D molecular layers of bisamide organogelators

V. Aviyente, B. Dedeoglu, Oznur Demir-Ordu, 2018, RSC advances.

Solvent-catalyzed ring-chain-ring tautomerization in axially chiral compounds.

V. Van Speybroeck, V. Aviyente, M. Waroquier, 2012, Chemistry.

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.

V. Aviyente, R. Klein, I. Dogan, 2004, Organic & biomolecular chemistry.

Effect of cooperative hydrogen bonding in azo-hydrazone tautomerism of azo dyes.

P. Doruker, V. Aviyente, A. S. Ozen, 2007, The journal of physical chemistry. A.

Local vibrational mode analysis of ion-solvent and solvent-solvent interactions for hydrated Ca2+ clusters.

E. Kraka, V. Aviyente, Daniel Sethio, 2020, The Journal of chemical physics.

Solvent effect on the synthesis of clarithromycin: A molecular dynamics study

Viktorya Aviyente, Dilek Duran, Canan Baysal, 2004, J. Comput. Aided Mol. Des..

Exploring the Photophysics of Polyfluorinated Phthalocyanine Derivatives as Potential Theranostic Agents

V. Aviyente, S. Catak, A. Monari, 2019, The Journal of Physical Chemistry C.

Experimental and modeling approach to decolorization of azo dyes by ultrasound: degradation of the hydrazone tautomer.

V. Aviyente, N. Ince, G. Tezcanli-Güyer, 2005, The journal of physical chemistry. A.

Modeling the Substituent Effect on the Oxidative Degradation of Azo Dyes

P. Geerlings, A. S. Özen, V. Aviyente, 2004 .

Modeling the Oxidative Degradation of Azo Dyes: A Density Functional Theory Study

A. S. Özen, V. Aviyente, R. Klein, 2003 .

Modelling the hydrolysis of succinimide: formation of aspartate and reversible isomerization of aspartic acid via succinimide.

V. Aviyente, F. Aylin, S. Konuklar, 2003, Organic & biomolecular chemistry.

Hydroxyl radical-mediated degradation of diclofenac revisited: a computational approach to assessment of reaction mechanisms and by-products

V. Aviyente, S. Catak, Sesil Agopcan Cinar, 2017, Environmental Science and Pollution Research.

Binding of self-etching monomers to hydroxyapatite: A computational approach

V. Aviyente, D. Avci, G. B. Ozaydin, 2020 .

Conformational properties of amphotericin B amide derivatives – impact on selective toxicity

Viktorya Aviyente, Maciej Baginski, Haluk Resat, 2000, J. Comput. Aided Mol. Des..

Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms.

Viktorya Aviyente, Saron Catak, G. Monard, 2009, The journal of physical chemistry. A.

Modeling the deamidation of asparagine residues via succinimide intermediates

I. Bahar, T. Sen, V. Aviyente, 2001 .

Solvent Effect on Vibrational Frequencies of Substituted Acetaldehydes

T. Varnali, V. Aviyente, M. Ruiz‐López, 1993 .

Tandem mass spectrometry studies of acetone and acetone/water cluster ions

V. Aviyente, C. Lifshitz, M. Iraqi, 1991, Journal of the American Society for Mass Spectrometry.

Computational study of factors controlling the boat and chair transition states of Ireland-Claisen rearrangements.

Viktorya Aviyente, K N Houk, Franziska Schoenebeck, 2010, The Journal of organic chemistry.

Origins of boat or chair preferences in the Ireland-Claisen rearrangements of cyclohexenyl esters: a theoretical study.

K. Houk, M. Kalani, V. Aviyente, 2003, The Journal of organic chemistry.

Rationalizing the regioselectivity of cationic ring-opening polymerization of benzoxazines

B. Kiskan, Y. Yagcı, V. Aviyente, 2018, European Polymer Journal.

Controlling the tacticity in the polymerization of N-isopropylacrylamide: A computational study

C. Atilgan, V. Aviyente, M. Waroquier, 2011 .

Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization

A. Erdinçler, V. Aviyente, N. Ince, 2021, Ultrasonics sonochemistry.

Conformational equilibria of 5-substituted 1,3-dioxanes. study of solvent effects

T. Varnali, V. Aviyente, M. Ruiz‐López, 1993 .

Structure-reactivity relationships of novel monomeric photoinitiators

J. Lalevée, M. Aleksanyan, V. Aviyente, 2016 .

Photophysical and Photochemical Studies of Novel Thioxanthone-Functionalized Methacrylates through LED Excitation

B. Graff, J. Fouassier, J. Lalevée, 2016 .

Computational study of the anomeric effect in 2-[(4-substituted phenyl)seleno]-1,3-dithianes

V. Aviyente, Nurcan Şenyurt, 1998 .

Conformational analysis of 2-substituted-l,3-diheteroanes. A theoretical study of solvent effects

Cenk Selçuki, T. Varnali, V. Aviyente, 1997 .

Elucidating the Structural Isomerism of Fluorescent Strigolactone Analogue CISA‐1

C. Stevens, V. Aviyente, M. Waroquier, 2015 .

Transition-state switchings for single potential well ionic dissociations

K. Song, V. Aviyente, C. Lifshitz, 1991 .

AB INITIO STUDY ON THE CONFORMATIONAL BEHAVIOUR OF ETHANE-1,1-DIOL and ETHANE-1,1,2-TRIOL IN SOLUTION

Viktorya Aviyente, Safiye Sağ Erdem, Tereza Varnali, 1997 .

Structures and energetics of proton-bound formic acid--water clusters, (HCOOH)n(H2O)H+

Ruiqin Q. Zhang, T. Varnali, V. Aviyente, 1997 .

A semiempirical study of protonated ammonia-triethylamine clusters

T. Varnali, V. Aviyente, 1994 .

Modeling Proton-Bound Methanol, Ammonia, and Amine Complexes of 12-Crown-4-Ether and Dimethoxyethane (“Glyme”) Using Density Functional Theory

V. Aviyente, Jan M. L. Martin, C. Lifshitz, 1998 .

Pyrolysis of Alkanes: A Computational Approach.

V. Aviyente, Seda Karahan, Ziya Köstereli, 2020, The journal of physical chemistry. A.

Theoretical study of isomeric clusters of protonated acetone

V. Aviyente, T. Vernali, 1992 .

A Computational Study of the Wallach Rearrangement

A. S. Özen, V. Aviyente, S. S. Erdem, 1998 .

Solvent effects on glycine II. Water‐assisted tautomerization

Bülent Balta, Viktorya Aviyente, B. Balta, 2004, J. Comput. Chem..

Solvent effects on glycine. I. A supermolecule modeling of tautomerization via intramolecular proton transfer

Bülent Balta, Viktorya Aviyente, B. Balta, 2003, Journal of computational chemistry.

Computational study of alkyllithium/pyridine derivative systems as initiators for the living anionic polymerization of methyl methacrylates

Turgut Nugay, V. Aviyente, S. Catak, 2005 .

Origins of the solvent effect on the propagation kinetics of acrylic acid and methacrylic acid

V. Aviyente, M. Waroquier, O. Karahan, 2013 .

Role of the n+1 amino acid residue on the deamidation of asparagine in pentapeptides

M. Feig, V. Aviyente, I. Ugur, 2015 .

Assessing protein–ligand binding modes with computational tools: the case of PDE4B

Viktorya Aviyente, E. Demet Akten, Gerald Monard, 2017, Journal of Computer-Aided Molecular Design.

Reaction mechanism of deamidation of asparaginyl residues in peptides: effect of solvent molecules.

Viktorya Aviyente, Saron Catak, G. Monard, 2006, The journal of physical chemistry. A.

DFT Study on the Propagation Kinetics of Free-Radical Polymerization of α-Substituted Acrylates

V. Aviyente, M. Waroquier, Isa Degirmenci, 2009 .

Relationship Between the Free Radical Polymerization Rates of Methacrylates and the Chemical Properties of their Monomeric Radicals

V. Aviyente, F. Proft, D. Avci, 2015 .

Solvent effects on free-radical copolymerization of styrene and 2-hydroxyethyl methacrylate: a DFT study

V. Aviyente, Seyhan Salman, O. Karahan, 2014 .

Modeling the free radical polymerization of acrylates

H. Günaydin, V. Aviyente, Seyhan Salman, 2005 .

Synthesis and modeling of new phosphorus‐containing acrylates

A. Z. Albayrak, V. Aviyente, Seyhan Salman, 2005 .

SAMPL7 blind challenge: quantum–mechanical prediction of partition coefficients and acid dissociation constants for small drug-like molecules

V. Aviyente, Z. P. Haslak, E. Arslan, 2021, Journal of Computer-Aided Molecular Design.

How substitution tunes the electronic and transport properties of oligothiophenes, oligoselenophenes and oligotellurophenes

V. Aviyente, Seyhan Salman, Tuğçe G. Erbay, 2015 .

Quantum Mechanical Prediction of Dissociation Constants for Thiazol-2-imine Derivatives

G. Monard, V. Aviyente, Z. P. Haslak, 2023, J. Chem. Inf. Model..

Design of donor-acceptor copolymers for organic photovoltaic materials: a computational study.

V. Aviyente, Seyhan Salman, H. T. Turan, 2018, Physical chemistry chemical physics : PCCP.

Computational study on nonenzymatic peptide bond cleavage at asparagine and aspartic acid.

G. Monard, V. Aviyente, S. Catak, 2008, The journal of physical chemistry. A.

Origins of the photoinitiation capacity of aromatic thiols as photoinitiatiors: a computational study.

V. Aviyente, A. Monari, Volkan Fındık, 2021, Physical chemistry chemical physics : PCCP.

Shell-like Features and Charge Localization in Protonated Helium Clusters: a Density Functional Study

Cenk Selçuki, B. Balta, V. Aviyente, 2000 .

Photophysical, kinetic and thermodynamic study of one-component Type II thioxanthone acetic acid photoinitiators

V. Aviyente, S. Catak, N. Arsu, 2020 .

Cinchona Alkaloid Catalyzed Asymmetric Desymmetrization of meso‐Cyclic Anhydrides: The Origins of Stereoselectivity

C. Bolm, V. Aviyente, S. Catak, 2015 .

Interpretation of hydrogen bonding in the weak and strong regions using conceptual DFT descriptors.

Viktorya Aviyente, Paul Geerlings, Frank De Proft, 2006, The journal of physical chemistry. A.

Protonated aldehyde clusters: a semiempirical approach

T. Varnali, V. Aviyente, 1993 .

Modeling the effect of substitution on the Pb(OAc)4 mediated oxidative cleavage of steroidal 1,2-diols.

V. Aviyente, K. Topal, N. Tüzün, 2005, Journal of Organic Chemistry.

Understanding the stereoselection induced by chiral anthracene templates in Diels-Alder cycloaddition: a DFT study.

A. Sanyal, V. Aviyente, Nihan Celebi-Olçüm, 2009, The Journal of organic chemistry.

A computational approach to the polymerizabilities of diallylamines

V. Aviyente, N. Tüzün, D. Avci, 2001 .

Activity of Topotecan toward the DNA/Topoisomerase I Complex: A Theoretical Rationalization.

V. Aviyente, S. Catak, I. Ugur, 2018, Biochemistry.

Understanding the mode of action of ThDP in benzoylformate decarboxylase.

C. Atilgan, A. Demir, V. Aviyente, 2010, Biopolymers.

Conformational analysis of 2-cyano-1,1-dihydroxyethane in solution

T. Varnali, V. Aviyente, M. Ruiz‐López, 1996 .

Solvent effect on the conformational behavior of substituted spiro[4.5]decanes and spiro[5.5]undecanes

T. Varnali, V. Aviyente, M. Ruiz‐López, 1995 .

Initiation of the reaction of deamidation in triosephosphate isomerase: investigations by means of molecular dynamics simulations.

G. Monard, V. Aviyente, I. Ugur, 2012, The journal of physical chemistry. B.

Origins of the deamidation in peptides and TPI

G. Monard, V. Aviyente, I. Ugur, 2012, 2012 7th International Symposium on Health Informatics and Bioinformatics.

A DFT approach to discriminate the antagonist and partial agonist activity of ligands binding to the NMDA receptor

Bercem Dutagaci, V. Aviyente, Z. P. Haslak, 2018 .

Quorum‐sensing inhibitor potential of trans‐anethole aganist Pseudomonas aeruginosa

V. Aviyente, G. Boşgelmez-Tinaz, G. Çifci, 2018, Journal of applied microbiology.

Molecular Docking Study Based on Pharmacophore Modeling for Novel PhosphodiesteraseIV Inhibitors

V. Aviyente, E. D. Akten, Gülşah Çifci, 2012, Molecular informatics.

Hydroxyl radical-mediated degradation of salicylic acid and methyl paraben: an experimental and computational approach to assess the reaction mechanisms

V. Aviyente, N. Ince, S. A. Cinar, 2019, Environmental Science and Pollution Research.

Photophysical Properties of Benzophenone-Based TADF Emitters in Relation to Their Molecular Structure

V. Aviyente, S. Catak, A. Monari, 2021, The journal of physical chemistry. A.

Time-dependent mass spectra and breakdown graphs. 11. Time-resolved ion momentum spectrometry of anisole

V. Aviyente, C. Lifshitz, N. Ohmichi, 1988 .

Multiscale modeling of poly(2-isopropyl-2-oxazoline) chains in aqueous solution

C. Atilgan, V. Aviyente, T. F. Özaltın, 2017 .