Publications
121. Transferable Water Potentials Using Equivariant Neural Networks
T. Maxson, T. Szilvási
Journal of Physical Chemistry Letters, 15, 3740 (2024). [DOI]
120. Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices
T. Maxson, A. Soyemi B. W. J. Chen, T. Szilvási
Journal of Physical Chemistry C, accepted (2024). [DOI]
ACS Editor's Choice paper
119. Predicting the Melting Point of Liquid Crystals with Directed Message Passing Neural Networks
A. Soyemi S. K. Pandey, S. A. Vaara, T. Szilvási
Liquid Crystals, 51, 78 (2024). [DOI]
118. Selective Vapor-phase Formation of Dimethylformamide via Oxidative Coupling of Methanol and Dimethylamine over Bimetallic Catalysts
A. P. Minne, A. Soyemi, T. Szilvási, J. W. Harris
Catalysis Science & Technology, 14, 1534 (2024). [DOI]
117. Probe the Dynamic Adsorption and Phase Transition of Underpotential Deposition Processes at Electrode–Electrolyte Interfaces
K.-H. Chen, F. Fathi, T. Maxson, M. Hossain, E. Khisamutdinov, T. Szilvási, X. Zeng, Z. Li
Langmuir, 40, 4914 (2024). [DOI]
116. Symmetric Carbon Tetramers Forming Spin Qubits in Hexagonal Boron Nitride
Z. Benedek, R. Babar, Á. Ganyecz, T. Szilvási, Ö. Legeza, G. Barcza, V. Ivády
npj Computational Materials, 9, 187 (2023). [DOI]
115. Zeolite Encapsulated Organometallic Complexes as Model Catalysts
E. P. Iaia, A. Soyemi, T. Szilvási, J. W. Harris
Dalton Transactions, 52, 16103 (2023). [DOI]
114. Cationic Tetrylene-Iron(0) Complexes: Access Points for Cooperative, Reversible Bond Activation and Open-Shell Iron(-I) Ferrato-Tetrylenes
P. M. Keil, A. Soyemi, K. Weisser, T. Szilvási, C. Limberg, T. J. Hadlington
Angewandte Chemie International Edition, 62, e202218141 (2023). [DOI]
Associated Frontispiece [DOI]
113. Calculated Physicochemical Properties of Glycerol-Derived Solvents to Drive Plastic Waste Recycling
A. Soyemi, T. Szilvási
Industrial & Engineering Chemistry Research, 62, 6322 (2023). [DOI]
Appeared on the Cover Page [DOI]
112. Synthesis and Properties of 2-Halo-1,3-diether-propanes: Diversifying the Range of Functionality in Glycerol-Derived Compounds
S. Chatterjee, S. Qian, A. Soyemi, T. Szilvási, J. E. Bara
Industrial & Engineering Chemistry Research, 62, 2959 (2023). [DOI]
111. Towards Large-scale Restricted Active Space Calculations Inspired by the Schmidt Decomposition
G. Barcza, M. A. Werner, G. Zaránd, A. Pershin, Z. Benedek, Ö. Legeza, T. Szilvási
Journal of Physical Chemistry A, 126, 9709 (2022). [DOI]
110. Isolation and Reactivity of Tetrylene-Tetrylone-Iron Complexes Supported by Bis(N-Heterocyclic Imine) Ligands
X.-X. Zhao, T. Szilvási, F. Hanusch, J. Kelly, S. Fujimori, S. Inoue
Angewandte Chemie International Edition, 61, e202208930 (2022). [DOI]
109. Sensitivity of Coupled Cluster Electronic Properties on the Reference Determinant: Can Kohn-Sham Orbitals Be More Beneficial than Hartree-Fock Orbitals?
Z. Benedek, P. Tímár, T. Szilvási, G. Barcza
Journal of Computational Chemistry, 43, 2103 (2022). [DOI]
108. H2 and N2 Binding Affinities Are Coupled in Synthetic Fe Nitrogenases Limiting N2 Fixation
J. Kfoury, Z. Benedek, T. Szilvási, J. Oláh
Organometallics, 41, 1134 (2022). [DOI]
107. Properties of Imidazolium Ionic Liquids with Glycerol-Derived Functional Groups
S. Qian, J. D. Leah, S. Chatterjee, A. Soyemi, T. Szilvási, J. E. Bara
Journal of Chemical & Engineering Data, 67, 1905 (2022). [DOI]
106. Benchmarking Semiempirical QM Methods for Calculating the Dipole Moment of Organic Molecules
A. Soyemi, T. Szilvási
The Journal of Physical Chemistry A, 126, 1905 (2022). [DOI]
105. Experimental and Computational Study of the Properties of Imidazole Compounds with Branched and Cycloalkyl Substituents
S. Qian, P. Mileski, A. C. Irvin, A. Soyemi, T. Szilvási, J. E. Bara
Liquids, 2, 14 (2022). [DOI]
104. Accessing The Main-group Metal Formyl Scaffold Through CO-activation in Beryllium Hydride Complexes
T. Hadlington, T. Szilvási
Nature Communications, 13, 461 (2022). [DOI]
103. Trends in Computational Molecular Catalyst Design
A. Soyemi, T. Szilvási
Dalton Transactions, 50, 10325 (2021). [DOI]
Appeared on the Back Cover Page [DOI]
102. Reversible Metathesis of Ammonia in an Acyclic Germylene-Ni0 Complex
P. K. Keil, T. Szilvási, T. J. Hadlington
Chemical Science, 12, 5582 (2021). [DOI]
101. DMRG on Top of Plane-Wave Kohn–Sham Orbitals: A Case Study of Defected Boron Nitride
Barcza, V. Ivády, T. Szilvási, M. Vörös, L. Veis, A. Gali, Ö. Legeza
Journal of Chemical Theory and Computation, 17, 1143 (2021). [DOI]
100. Designing Chemically Selective Liquid Crystalline Materials That Respond to Oxidizing Gases
N. Bao, J. I. Gold, T. Szilvási, H. Yu, R. J. Twieg, M. Mavrikakis, N. L. Abbott
Journal of Materials Chemistry C, 9, 6507 (2021). [DOI]
99. An Isolable Three-Coordinate Germanone and Its Reactivity
X.-X. Zhao, T. Szilvási, F. Hanusch, S. Inoue
Chemistry a European Journal, 27, 15914 (2021). [DOI]
98. Coupling the Chemical Reactivity of Bimetallic Surfaces to the Orientations of Liquid Crystals
T. Szilvási, H. Yu, J. I. Gold, N. Bao, T. J. Wolter, R. J. Twieg, N. L. Abbott, M. Mavrikakis
Materials Horizons, 8, 2050 (2021). [DOI]
97. Design of Chemoresponsive Soft Matter Using Hydrogen-Bonded Liquid Crystals
H. Yu, K. Wang, T. Szilvási, K. Nayani, N. Bao, R. J. Twieg, M. Mavrikakis, N. L. Abbott
Materials, 14, 1055 (2021). [DOI]
96. An Automated Cluster Surface Scanning Method for Exploring Reaction Paths on Metal-Cluster Surfaces
S. Tacey, B. W. J. Chen, T. Szilvási, M. Mavrikakis
Computational Material Science, 186, 110010 (2021). [DOI]
95. Influence of Multifluorophenyloxy Terminus on the Mesomorphism of the Alkoxy and Alkyl Cyanobiphenyl Compounds in Search of New Ambient Nematic Liquid Crystals and Mixtures
K. Wang, M. S. Rahman, T. Szilvási, J. I. Gold, N. Bao, H. Yu, N. L. Abbott, M. Mavrikakis, R. J. Twieg
Liquid Crystals, 48, 672 (2021). [DOI]
94. Demonstrating the Direct Relationship between Hydrogen Evolution Reaction and Catalyst Deactivation in Synthetic Fe Nitrogenases
Z. Benedek, M. Papp, J. Oláh, T. Szilvási
ACS Catalysis, 10, 12555(2020). [DOI]
Prior to Joining UA
93. A Bis(silylene)-Stabilized Diphosphorus Compound and Its Reactivity as a Monophosphorus Anion Transfer Reagent
Y. Wang, T. Szilvási, S. Yao, M. Driess
Nature Chemistry, 12, 801 (2020). [DOI]
92. Isolation and Reactivity of Chlorotetryliumylidenes Using a Bidentate Bis(N-heterocyclic imine) Ligand
F. S. Tschernuth, F. Hanusch, T. Szilvási, S. Inoue
Organometallics, 39, 4265 (2020). [DOI]
91. Bis(silylene)-Stabilized Monovalent Nitrogen Complexes
S. Yao, T. Szilvási, Y. Xiong, C. Lorent, A. Ruzicka, M. Driess
Angewandte Chemie International Edition, 59, 22043 (2020). [DOI]
90. Binding of Organophosphorus Nerve Agents and Their Simulants to Metal Salts
J. I. Gold, T. Szilvási, N. L. Abbott, M. Mavrikakis
ACS Applied Materials & Interfaces, 12, 30941 (2020). [DOI]
89. Computational Chemistry-Based Evaluation of Metal Salts and Metal Oxides for Application in Mercury-Capture Technologies
S. A. Tacey, T. Szilvási, J. J. Schauer, M. Mavrikakis
Industrial & Engineering Chemistry Research, 59, 9015 (2020). [DOI]
88. New Room Temperature Nematogens by Cyano Tail Termination of Alkoxy and Alkylcyanobiphenyls and Their Anchoring Behavior on Metal Salt-decorated Surface
K. Wang, T. Szilvási, J. I. Gold, H. Yu, N. Bao, P. Rai, M. Mavrikakis, N. L. Abbott, R. J. Twieg
Liquid Crystals, 47, 540 (2020). [DOI]
87. Facile Access to Dative, Single, and Double Silicon−Metal Bonds Through M−Cl Insertion Reactions of Base-Stabilized Si(II) Cations
P. Frisch, T. Szilvási, S. Inoue
Chemistry a European Journal, 26, 6271 (2020). [DOI]
86. Homocoupling of CO and Isocyanide Mediated by a C,C′-bis(silylenyl)-substituted Ortho-carborane
Y. Xiong, S. Yao, T. Szilvási, A. Ruzicka, M. Driess
Chemical Communications, 56, 747 (2020). [DOI]
85. Synthesis and Properties of Fluorine Tail-terminated Cyanobiphenyls and Terphenyls for Chemoresponsive Liquid Crystals
K. Wang, P. Rai, F. Ashani, T. Szilvási, H. Yu, N. L. Abbott, M. Mavrikakis, R. J. Twieg
Liquid Crystals, 47, 3 (2020). [DOI]
84. Identification of Stable Adsorption Sites and Diffusion Paths on Nanocluster Surfaces: An Automated Scanning Algorithm
T. Szilvási, B. W. J. Chen, M. Mavrikakis
npj Computational Materials, 5, 101 (2019). [DOI]
83. Amplification of Elementary Surface Reaction Steps on Transition Metal Surfaces using Liquid Crystals: Dissociative Adsorption and Dehydrogenation
H. Yu, T. Szilvási, K. Wang, J. I. Gold, N. Bao, R. J. Twieg, M. Mavrikakis, N. L. Abbott
Journal of the American Chemical Society, 141, 16003 (2019). [DOI]
82. Exploring Hydrogen Evolution Accompanying Nitrogen Reduction on Biomimetic Nitrogenase Analogs: Can Fe–NxHy Intermediates Be Active Under Turnover Conditions?
Z. Benedek, M. Papp, J. Oláh, T. Szilvási
Inorganic Chemistry, 58, 7969 (2019). [DOI]
81. Versatile Tautomerization of EH2-Substituted Silylenes (E = N, P, As) in the Coordination Sphere of Nickel
T. J. Hadlington, T. Szilvási, M. Driess
Journal of the American Chemical Society, 141, 3304 (2019). [DOI]
80. CO2 Fixation and Catalytic Reduction by a Neutral Aluminum Double Bond
C. Weetman, P. Bag, T. Szilvási, C. Jandl, S. Inoue
Angewandte Chemie International Edition, 58, 3382 (2019). [DOI]
79. Transition Metal Carbonyl Complexes of an N-Heterocyclic Carbene Stabilized Silyliumylidene Ion
P. Frisch, T. Szilvási, A. Porzelt, S. Inoue
Inorganic Chemistry, 58, 14931 (2019). [DOI]
78. Heavier Carbonyl Olefination: The Sila-Wittig Reaction
D. Reiter, P. Frisch, T. Szilvási, S. Inoue
Journal of the American Chemical Society, 141 (2019). [DOI]
77. From As-Zincoarsasilene (LZn-As=SiL′) to Arsaethynolato (As≡C−O) and Arsaketenylido (O=C=As) Zinc Complexes
E. Ballestero-Martínez, T. Szilvási, T. J. Hadlington, M. Driess
Angewandte Chemie International Edition, 58, 3382 (2019). [DOI]
76. Isolation of an N-Heterocyclic Carbene Complex of a Borasilene
D. Franz, T. Szilvási, A. Pöthig, S. Inoue
Chemistry a European Journal, 25, 11036 (2019). [DOI]
75. The Quest for Stable Silaaldehydes: Synthesis and Reactivity of a Masked Silacarbonyl
D. Sarkar, V. Nesterov, T. Szilvási, P. J. Altmann, D. Franz, S. Inoue
Chemistry a European Journal, 25, 1198 (2019). [DOI]
74. Synthesis and Properties of Hydroxy Tail Terminated Cyanobiphenyl Liquid Crystals
K. Wang, M. Jirka, P. Rai, R. J. Twieg, T. Szilvási, H. Yu, N. L. Abbott, M. Mavrikakis
Liquid Crystals, 46, 397 (2019). [DOI]
73. Precise Activation of Ammonia and Carbon Dioxide by an Iminodisilene
D. Wendel, T. Szilvási, D. Henschel, P. J. Altmann, C. Jandl, S. Inoue, B. Rieger
Angewandte Chemie International Edition, 57, 14575 (2018). [DOI]
72. Redox-Triggered Orientational Responses of Liquid Crystals to Chlorine Gas
T. Szilvási, N. Bao, K. Nayani, H. Yu, P. Rai, R. Twieg, M. Mavrikakis, N. L. Abbott
Angewandte Chemie International Edition, 57, 9665 (2018). [DOI]
71. Identifying the Rate-Limiting Elementary Steps of Nitrogen Fixation with Single-Site Fe Model Complexes
Z. Benedek, M. Papp, J. Oláh, T. Szilvási, Inorganic Chemistry, 57, 8499 (2018). [DOI]
Selected as ACS Editors‘ Choice
Most-read paper in July 2018 in Inorganic Chemistry
70. Computational Chemistry-Guided Design of Selective Chemoresponsive Liquid Crystals using Pyridine and Pyrimidine Functional Groups
H. Yu, T. Szilvási, P. Rai, R. J. Twieg, M. Mavrikakis, N. L. Abbott
Advanced Functional Materials, 28, 1703581 (2018). [DOI]
Selected as Hot Topic by Wiley
69. The Role of Anions in Adsorbate-induced Anchoring Transitions of Liquid Crystals on Surfaces with Discrete Cation Binding Sites
T. Szilvási, N. Bao, H. Yu, R. Twieg, M. Mavrikakis, N. L. Abbott
Soft Matter, 14, 797 (2018). [DOI]
68. From an Fe2P3 Complex to FeP Nanoparticles as Efficient Electrocatalysts for Water-splitting
S. Yao, V. Forstner, P. W. Menezes, C. Panda, S. Mebs, E. M. Zolnhofer, M. E. Miehlich, T. Szilvási, N. A. Kumar, M. Haumann, K. Meyer, H. Grützmacher, M. Driess
Chemical Science, 9, (2018). [DOI]
67. The Role of Iron-oxide Aerosols and Sunlight in the Atmospheric Reduction of Hg(II) Species: A DFT+U Study
S. A. Tacey, T. Szilvási, L. Xu, J. J. Schauer, M. Mavrikakis
Applied Catalysis B: Environmental, 234, 347 (2018). [DOI]
66. Quantum Chemical Calculations to Determine Partitioning Coefficients for HgCl2 on Iron-oxide Aerosols
S. A. Tacey, L. Xu, T. Szilvási, J. J. Schauer, M. Mavrikakis
Science of The Total Environment, 636, 580 (2018). [DOI]
65. Metal Nitrene-like Reactivity of a Si=N Bond Towards CO2
T. J. Hadlington, T. Szilvási, M. Driess
Chemical Communications, 54, 9352 (2018). [DOI]
64. From Zinco(II) Arsaketenes to Silylene-stabilised Zinco Arsinidene Complexes
E. Ballestero-Martínez, T. J. Hadlington, T. Szilvási, S. Yao, M. Driess
Chemical Communications, 54, 6124 (2018). [DOI]
Appeared on the Back Cover Page
63. Striking Transformations of the Hydroborylene Ligand in a HB:→Ni(II) Complex with Isocyanides and CO
T. J. Hadlington, T. Szilvási, M. Driess
Chemical Science, 9, 2595 (2018). [DOI]
62. Three-Coordinate Boron(III) and Diboron(II) Dications
D. Franz, T. Szilvási, A. Pöthig, F. Deiser, S. Inoue
Chemistry a European Journal, 24, 4283 (2018). [DOI]
61. Investigations of LiP(SiMe2CH2SiMe3)–PtBu2, the Surprising Byproduct in the Metalation of Me3Si)2P–PtBu2
E. Sattler, T. Szilvási, E. Matern, P. Bombicz, M. Gamer, A. Okrut, I. Kovács
European Journal of Inorganic Chemistry, 56, 5328 (2017). [DOI]
Selected as Very Important Paper
60. Chalcogen-atom Transfer and Exchange Reactions of NHC-stabilized Heavier Silaacylium Ions
D. Sarkar, D. Wendel, S. U. Ahmad, T. Szilvási, A. Pöthig, S. Inoue
Dalton Transactions, 46, 16014 (2017). [DOI]
59. Design of Chemoresponsive Liquid Crystals through Integration of Computational Chemistry and Experimental Studies
T. Szilvási, L. T. Roling, H. Yu, P. Rai, S. Choi, R. J. Twieg, M. Mavrikakis, N. L. Abbott
Chemistry of Materials, 29, 3563 (2017). [DOI]
58. Distinguishing Attosecond Electron–electron Scattering and Screening in Transition Metals
C. Chen, Z. Tao, A. Carr, P. Matyba, T. Szilvási, S. Emmerich, M. Piecuch, M. Keller, D. Zusin, S. Eich, M. Rollinger, W. You, S. Mathias, U. Thumm, M. Mavrikakis, M. Aeschlimann, P. M. Oppeneer, H. Kapteyn, M. Murnane
Proceedings of the National Academy of Sciences of the United States of America, 114, E5300 (2017). [DOI]
57. Theoretical Evidence for the Utilization of Low-valent Main-Group Complexes as Rare-Synthon Equivalents
Z. Benedek, B. Orbán, T. Szilvási
Chemistry a European Journal, 23, 17908 (2017). [DOI]
Selected as Hot Paper
56. The Correlation Theory of The Chemical Bond
S. Szalay, G. Barcza, T. Szilvási, L. Veis, Ö. Legeza
Scientific Reports, 7, 2237 (2017). [DOI]
55. Twist of a Silicon−Silicon Double Bond: Selective Anti-Addition of Hydrogen to an Iminodisilene
D. Wendel, T. Szilvási, C. Jandl, S. Inoue, B. Rieger
Journal of the American Chemical Society, 139, 9156 (2017). [DOI]
54. Using Functionalized Silyl Ligands To Suppress Solvent Coordination to Silyl Lanthanide(II) Complexes
R. Zitz, J. Hlina, M. A. Meshgi, H. Krenn, C. Marschner, T. Szilvási, J. Baumgartner
Inorganic Chemistry, 56, 5328 (2017). [DOI]
53. Theoretical Assessment of Low-Valent Germanium Compounds as Transition Metal Ligands: Can They be Better than Phosphines or NHCs?
Z. Benedek, T. Szilvási
Organometallics, 36, 1591 (2017). [DOI]
52. Synthesis of a Metallo-Iminosilane via a Silanone-Metal π-Complex
T. J. Hadlington, T. Szilvási, M. Driess
Angewandte Chemie International Edition, 56, 14282 (2017). [DOI]
51. Silylene–Nickel Promoted Cleavage of B-O Bonds: From Catechol Borane to the Hydroborylene Ligand
T. J. Hadlington, T. Szilvási, M. Driess
Angewandte Chemie International Edition, 56, 7470 (2017). [DOI]
50. Systematic Study of N‑Heterocyclic Carbene Coordinate Hydrosilylene Transition-Metal Complexes
C. Eisenhut, T. Szilvási, D. Gizem, N. C. Breit, S. Inoue
Inorganic Chemistry, 56, 10061 (2017). [DOI]
49. Unexpected Photodegradation of a Phosphaketenyl-Substituted Germyliumylidene Borate Complex
Y. Xiong, S. Yao, T. Szilvási, E. Ballestero-Martínez, H. Grützmacher, M. Driess
Angewandte Chemie International Edition, 56, 4333 (2017). [DOI]
48. Improving the Catalytic Activity in the Rhodium-Mediated Hydroformylation of Styrene by a Bis(N-heterocyclic silylene) Ligand
M. Schmidt, B. Blom, T. Szilvási, R. Schomäcker, M. Driess
European Journal of Inorganic Chemistry, 1284 (2017). [DOI]
47. An Intramolecular Silylene Borane Capable of Facile Activation of Small Molecules, Including Metal-Free Dehydrogenation of Water
Z. Mo, T. Szilvási, Y.-P. Zhou, S. Yao, M. Driess
Angewandte Chemie International Edition, 56, 3699 (2017). [DOI]
Selected as Hot Paper
46. An S-Oxygenated [NiFe] Complex Modelling Sulfenate Intermediates of an O2-Tolerant Hydrogenase
N. J. Lindenmaier, S. Wahlefeld, E. Bill, T. Szilvási, C. Eberle, S. Yao, P. Hildebrandt, M. Horch, I. Zebger, M. Driess
Angewandte Chemie International Edition, 56, 2208 (2017). [DOI]
45. A New Domain of Reactivity for High-Valent Dinuclear [M(μ-O)2M’] Complexes in Oxidation Reactions
X. Engelmann, S. Yao, E. R. Farquhar, T. Szilvási, U. Kuhlmann, P. Hildebrandt, M. Driess, K. Ray
Angewandte Chemie International Edition, 56, 297 (2017). [DOI]
44. Isolation and Structure of Germylene-Germyliumylidenes Stabilized by N-Heterocyclic Imines
T. Ochiai, T. Szilvási, D. Franz, E. Irran, S. Inoue
Angewandte Chemie International Edition, 55, 11619 (2016). [DOI]
43. A Bis(silylene)-Substituted ortho-Carborane as a Superior Ligand in the Nickel-Catalyzed Amination of Arenes
Y.-P. Zhou, S. Raoufmoghaddam, T. Szilvási, M. Driess
Angewandte Chemie International Edition, 55, 12868 (2016). [DOI]
42. Facile Access to Stable Silylium Ions Stabilized by N-Heterocyclic Imines
T. Ochiai, T. Szilvási, D. Franz, E. Irran, S. Inoue
Molecules, 21, 1155 (2016). [DOI]
41. Direct Time-domain Observation of Attosecond Final-state Lifetimes in Photoemission from Solids
Z. Tao, C. Chen, T. Szilvási, M. Keller, M. Mavrikakis, H. Kapteyn, M. Murnane
Science, 353, 62 (2016). [DOI]
40. Reactivity of an N-Heterocyclic Carbene Stabilized Hydrosilylene Towards a Ketone and CO2: Experimental and Theoretical Study
C. Eisenhut, T. Szilvási, N. C. Breit, S. Inoue
European Journal of Inorganic Chemistry, 2016, 2696 (2016). [DOI]
39. Synthesis, Characterization, and Application of Platinum(II) Complexes Incorporating Racemic and Optically Active 4-Chloro-5-Methyl-1-Phenyl-1,2,3,6-Tetrahydrophosphinine Ligand
P. Bagi, K. Karaghiosoff, M. Czugler, D. Hessz, M. Kállay, M. Kubinyi, T. Szilvási, P. Pongrácz, L. Kollár, I. Timári, K. E. Kövér, L. Drahos, E. Fogassy, G. Keglevich
Heteroatom Chemistry, 27, 91 (2016). [DOI]
38. From a Phosphaketenyl-Functionalized Germylene to 1,3-Digerma-2,4-diphosphacyclobutadiene
S. Yao, Y. Xiong, T. Szilvási, H. Grützmacher, M. Driess
Angewandte Chemie International Edition, 55, 4781 (2016). [DOI]
37. Transition Metal Complexes of a “Half-Parent” Phosphasilene Adduct Representing Silylene→Phosphinidene→Metal Complexes
K. Hansen, T. Szilvási, B. Blom, M. Driess
Organometallics, 34, 5703 (2015). [DOI]
36. A Monotopic Aluminum Telluride with an Al=Te Double Bond Stabilized by N-heterocyclic Carbenes
D. Franz, T. Szilvási, E. Irran, S. Inoue
Nature Communications, 6, 10037 (2015). [DOI]
35. Why Do Carbenes and Silylenes Activate White Phosphorus Differently?
T. Szilvási T. Veszprémi
Structural Chemistry, 26, 1335 (2015). [DOI]
34. From an Isolable Acyclic Phosphinosilylene Adduct to Donor-Stabilized Si=E Compounds (E=O, S, Se)
K. Hansen, T. Szilvási, B. Blom, M. Driess
Chemistry a European Journal, 21, 18930 (2015). [DOI]
33. A Persistent 1,2-Dihydrophosphasilene Adduct
K. Hansen, T. Szilvási, B. Blom, M. Driess
Angewandte Chemie International Edition, 54, 15060 (2015). [DOI]
32. Peripheral Mechanism of a Carbonyl Hydrosilylation Catalyzed by an SiNSi Iron Pincer Complex
T. T. Metsänen, D. Gallego, T. Szilvási, M. Driess, M. Oestreich
Chemical Science, 6, 7143 (2015). [DOI]
31. Alkaline-Earth Metal-Induced Liberation of Rare Allotropes of Elemental Silicon and Germanium From N-Heterocyclic Metallylenes
B. Blom, A. Said, T. Szilvási, P. W. Menezes, G. Tan, J. Baumgartner, M. Driess
Inorganic Chemistry, 54, 8840 (2015). [DOI]
30. A study on the optical resolution of 1-isopropyl-3-methyl-3-phospholene 1-oxide and its use in the synthesis of borane and platinum complexes
P. Bagi, K. Juhász, I. Timári, K. E. Kövér, M. Kállay, D. Mester, M. Kubinyi, T. Szilvási, P. Pongrácz, L. Kollár, K. Karaghiosoff, M. Czugler, L. Drahos, E. Fogassy, G. Keglevich
Journal of Organometallic Chemistry, 797, 140 (2015). [DOI]
29. Neutral “Cp-Free” Silyl-Lanthanide(II) Complexes: Synthesis, Structure, and Bonding Analysis
R. Zitz, J. Hlina, K. Gatterer, C. Marschner, T. Szilvási, J. Baumgartner
Inorganic Chemistry, 54, 7065 (2015). [DOI]
28. Facile Rotation around a Silicon-Phosphorus Double Bond Enabled through Coordination to Tungsten
N. C. Breit, T. Szilvási, S. Inoue
Chemical Communications, 51, 11272 (2015). [DOI]
27. Facile Rearrangement of a Bis(N-heterocyclic carbene)borate Chelate Ligand and Access to [:GeX]+ Complexes (X = H, Cl)
Y. Xiong, S. Yao, T. Szilvási, M. Driess
European Journal of Inorganic Chemistry, 14, 2377 (2015). [DOI]
Appeared on Cover Page
Highlighted in Cover Profile
26. An NHC-Stabilized Silicon Analogue of Acylium Ion: Synthesis, Structure, Reactivity, and Theoretical Studies
S. U. Ahmad, T. Szilvási, E. Irran, S. Inoue
Journal of the American Chemical Society, 137, 5828 (2015). [DOI]
25. Reductive Cleavage of P4 by Iron(I) Centres: Synthesis and Structural Characterisation of Fe2(P2)2 Complexes with Two Bridging P22− Ligands
S. Yao, T. Szilvási, N. Lindenmaier, Y. Xiong, S. Inoue, M. Adelhardt, J. Sutter, K. Meyer, M. Driess
Chemical Communications, 51, 6153 (2015). [DOI]
24. Open-Shell Lanthanide (+II) or (+III) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure and Bonding Analysis
R. Zitz, H. Arp, J. Hlina, M. Walewska, C. Marschner, T. Szilvási, B. Blom, J. Baumgartner
Inorganic Chemistry, 54, 3306 (2015). [DOI]
23. Ligand Bending and Tilted Coordination in the Coordinatively Unsaturated NHC Complex Lateral-bis(N,N′-dineopentyl-benzimidazoline-2-ylidene)molybdenumtricarbonyl - Synthesis and Structural Investigations
F. Ullah, T. Szilvási, T. Veszprémi, P. Jones, J. Heinicke
Journal of Organometallic Chemistry, 783, 22 (2015). [DOI]
22. A Neutral Tetraphosphacyclobutadiene Ligand in Cobalt(I) Complexes
S. Yao, N. Lindenmaier, Y. Xiong, S. Inoue, T. Szilvási, M. Adelhardt, J. Sutter, K. Meyer, M. Driess
Angewandte Chemie International Edition, 54, 1250 (2015). [DOI]
21. Can Low-valent Silicon Compounds be Better Transition Metal Ligands Than Phosphines and NHCs?
Z. Benedek, T. Szilvási
RSC Advances, 5, 5077 (2015). [DOI]
20. Reaction of an N-Heterocyclic Carbene-Stabilized Silicon(II) Monohydride with Alkynes: [2+2+1] Cycloaddition versus Hydrogen Abstraction
C. Eisenhut, T. Szilvási, N. C. Breit, S. Inoue
Chemistry a European Journal, 21, 1949 (2015). [DOI]
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19. An Amplified Ylidic ‘Half-Parent’ Iminosilane LSi=NH
K. Hansen, T. Szilvási, B. Blom, M. Driess
Journal of the American Chemical Society, 136, 14207 (2014). [DOI]
18. Synthesis and Unexpected Reactivity of Germyliumylidene Hydride [:GeH]+ Stabilized by a Bis(N-heterocyclic-carbene)borate Ligand
S. Yao, T. Szilvási, Y. Xiong, G. Tan, M. Driess
Journal of the American Chemical Society, 136, 11300 (2014). [DOI]
17. An Elusive Hydridoaluminum(I) Complex for Facile C−H and C−O Bond Activation of Ethers and Access to Its Isolable Hydridogallium(I) Analogue: Syntheses, Structures, and Theoretical Studies
G. Tan, T. Szilvási, S. Inoue, B. Blom, M. Driess
Journal of the American Chemical Society, 136, 9732 (2014). [DOI]
16. A Facile Access to a Novel NHC-stabilized Silyliumylidene Ion and C–H Activation of Phenylacetylene
S. U. Ahmad, T. Szilvási, S. Inoue
Chemical Communications, 50, 12619 (2014). [DOI]
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15. Platinum (II) Complexes Incorporating Racemic and Optically Active 1-Aryl-3-phospholene P-Ligands as Potential Catalysts in Hydroformylation
P. Bagi, T. Szilvási, P. Pongrácz, L. Kollár, L. Drahos, G. Keglevich
Current Organic Chemistry, 18, 1529 (2014). [DOI]
14. New Route to Access an Acyl-functionalized Phosphasilene and an Unprecedented Four-membered Si-P-C-O Heterocycle
N. C. Breit, T. Szilvási, S. Inoue
Chemistry a European Journal, 20, 9312 (2014). [DOI]
13. Fluorine Modification of the Surface of Diamondoids: A Time-Dependent Density Functional Study
T. Szilvási, A. Gali
Journal of Physical Chemistry C, 118, 4410 (2014). [DOI]
12. A Donor-stabilized Zwitterionic “Half-parent” Phosphasilene and Its Unusual Reactivity Towards Small Molecules
K. Hansen, T. Szilvási, B. Blom, E. Irran, M. Driess
Chemistry a European Journal, 20, 1947 (2014). [DOI]
11. Molecular-tailoring: A Possible Synthetic Route to Hexasilabenzene
Z. Benedek, T. Szilvási, T. Veszprémi
Dalton Transactions, 43, 1184 (2014). [DOI]
10. Platinum(II) Complexes Incorporating Racemic and Optically Active 1-alkyl-3-phospholene P-ligands: Synthesis, Stereostructure, NMR Properties and Catalytic Activity
P. Bagi, T. Kovács, T. Szilvási, P. Pongrácz, L. Kollár, L. Drahos, E. Fogassy, G. Keglevich
Journal of Organometallic Chemistry, 751, 306 (2014). [DOI]
9. From a Zwitterionic Phosphasilene to Base Stabilized Silyliumylidene-phosphide and Bis(silylene) Complexes
N. C. Breit, T. Szilvási, T. Suzuki, D. Gallego, S. Inoue
Journal of the American Chemical Society, 135, 17958 (2013). [DOI]
8. Molecular-tailoring: Substituent Design for Hexagermabenzene
T. Szilvási, T. Veszprémi
Organometallics, 32, 4733 (2013). [DOI]
7. Internal Catalytic Effect of Bulky NHC Groups in Suzuki-Miyaura Cross-coupling Reaction
T. Szilvási, T. Veszprémi
ACS Catalysis, 3, 1984 (2013). [DOI]
6. A Fragile Zwitterionic Phosphasilene as a Transfer Agent of the Elusive Parent Phosphinidene (:PH)
K. Hansen, T. Szilvási, B. Blom, S. Inoue, J. Epping, M. Driess
Journal of the American Chemical Society, 135, 11795 (2013). [DOI]
5. Molecular-tailoring: Reaction Path Control with Bulky Substituents
T. Szilvási T. Veszprémi
Organometallics, 31, 3207 (2012). [DOI]
4. Tuning the Optical Gap of Nanometer-size Diamond Cages by Sulfurization: A Time-Dependent Density Functional Study
M. Vörös, T. Demjén, T. Szilvási, A. Gali
Physical Review Letters, 108, 267401 (2012). [DOI]
3. Unique Insertion Mechanisms of β-Diketiminato-Silylene
T. Szilvási, K. Nyíri, T. Veszprémi
Organometallics, 30, 5344 (2011). [DOI]
2. On the Mechanism of the Reaction of White Phosphorus with Silylenes
T. Szilvási T. Veszprémi
Dalton Transactions, 40, 7193 (2011). [DOI]
1. The Mechanism and Energetics of Insertion Reactions of Silylenes
K. Nyíri, T. Szilvási, T. Veszprémi
Dalton Transactions, 39, 9347 (2010). [DOI]