Drahomír Hnyk

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 33

Top Topics

Molecular Dynamics

Crystal Structure

Magnetic Resonance

Top Venues

Inorganic chemistry

Physical chemistry chemical physics : PCCP

Dalton transactions (Cambridge, England : 2003)

This page only lists publications with an associated author ORCID identifier.

Publications

Willi Keller, Menyhárt B Sárosi, Jindřich Fanfrlík, Michal Straka, Josef Holub, Michael L McKee, Drahomír Hnyk
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability. RSC advances 13 (28) (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP (2023)
Michael L McKee, Jan Vrána, Josef Holub, Jindřich Fanfrlík, Drahomír Hnyk
DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability. Molecules (Basel, Switzerland) 28 (8) (2023)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP 25 (3) (2023)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
Jindřich Fanfrlík, Jiří Brynda, Michael Kugler, Martin Lepsik, Klára Pospíšilová, Josef Holub, Drahomír Hnyk, Jan Nekvinda, Bohumir Grüner, Pavlína Řezáčová
B-H⋯π and C-H⋯π interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides. Physical chemistry chemical physics : PCCP 25 (3) (2023)
Michael L McKee, Jan Vrána, Josef Holub, Jindřich Fanfrlík, Drahomír Hnyk
DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability. Molecules (Basel, Switzerland) 28 (8) (2023)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
Michael L McKee, Jan Vrána, Josef Holub, Jindřich Fanfrlík, Drahomír Hnyk
DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability. Molecules (Basel, Switzerland) 28 (8) (2023)
Willi Keller, Menyhárt B Sárosi, Jindřich Fanfrlík, Michal Straka, Josef Holub, Michael L McKee, Drahomír Hnyk
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability. RSC advances 13 (28) (2023)
Willi Keller, Matthias Hofmann, Hubert Wadepohl, Markus Enders, Jindřich Fanfrlík, Drahomír Hnyk
Chlorinated polyhedral selenaboranes revisited by joint experimental/computational efforts: the formation of closo -1-SeB 9 Cl 9 and the crystal structure of closo -SeB 11 Cl 11 . Dalton transactions (Cambridge, England : 2003) (2023)
José F Marco, Juan Z Dávalos-Prado, Drahomír Hnyk, Josef Holub, Ofelia B Oña, Diego R Alcoba, Maxime Ferrer, Jose Elguero, Luis Lain, Alicia Torre, Josep M Oliva-Enrich
Two Shared Icosahedral Metallacarboranes through Iron: A Joint Experimental and Theoretical Refinement of Mössbauer Spectrum in [Fe(1,2-C 2 B 9 H 11 ) 2 ]Cs. ACS omega 8 (15) (2023)
Willi Keller, Menyhárt B Sárosi, Jindřich Fanfrlík, Michal Straka, Josef Holub, Michael L McKee, Drahomír Hnyk
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability. RSC advances 13 (28) (2023)
Willi Keller, Matthias Hofmann, Menyhárt-Botond Sárosi, Jindřich Fanfrlík, Drahomír Hnyk
Reactivity of Perhalogenated Octahedral Phospha- and Arsaboranes toward THF: A Joint Experimental/Computational Study. Inorganic chemistry 61 (42) (2022)
D Sravanakumar Perumalla, Sagar Ghorai, Tanmoy Pal, Drahomír Hnyk, Josef Holub, Eluvathingal D Jemmis
Rearrangement of dicarboranyl methyl cation to icosahedral C 3 B 9 H 12 + : An ab initio dynamics view. Journal of computational chemistry (2022)
Mario Bakardjiev, Josef Holub, Zdeňka Růžičková, Aleš RůŽička, Jindřich Fanfrlík, Bohumil Štíbr, Michael L McKee, Drahomír Hnyk
Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: Z-rearrangement. Dalton transactions (Cambridge, England : 2003) 50 (35) (2021)
Mario Bakardjiev, Josef Holub, Dmytro Bavol, Jan Vrána, Maksim A Samsonov, Aleš RůŽička, Zdeňka Růžičková, Jindřich Fanfrlík, Drahomír Hnyk
Thiaborane Icosahedral Barrier Increased by the Functionalization of all Terminal Hydrogens in closo-1-SB11H11. Inorganic chemistry 60 (12) (2021)
Josef Holub, Aleš RůŽička, Zdeňka Růžičková, Jindřich Fanfrlík, Drahomír Hnyk, Bohumil Štíbr
Electrophilic Methylation of Decaborane(14): Selective Synthesis of Tetramethylated and Heptamethylated Decaboranes and Their Conjugated Bases. Inorganic chemistry 59 (15) (2020)
Khaleel I Assaf, Josef Holub, Eduard Bernhardt, Josep M Oliva-Enrich, M Isabel Fernández Pérez, Moisés Canle, Juan Arturo Santaballa, Jindřich Fanfrlík, Drahomír Hnyk, Werner M Nau
Face-Fusion of Icosahedral Boron Hydride Increases Affinity to γ-Cyclodextrin: closo,closo-[B21 H18 ]- as an Anion with Very Low Free Energy of Dehydration. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (10) (2020)
Josef Holub, Yury V Vishnevskiy, Jindřich Fanfrlík, Norbert W Mitzel, Denis Tikhonov, Jan Schwabedissen, Michael L McKee, Drahomír Hnyk
Bromination Mechanism of closo-1,2-C2 B10 H12 and the Structure of the Resulting 9-Br-closo-1,2-C2 B10 H11 Determined by Gas Electron Diffraction. ChemPlusChem 85 (12) (2020)
Jindřich Fanfrlík, Adam Pecina, Jan Řezáč, Martin Lepsik, Menyhárt-Botond Sárosi, Drahomír Hnyk, Pavel Hobza
Benchmark Data Sets of Boron Cluster Dihydrogen Bonding for the Validation of Approximate Computational Methods. Chemphyschem : a European journal of chemical physics and physical chemistry 21 (23) (2020)
Antonio Francés-Monerris, Josef Holub, Daniel Roca-Sanjuán, Drahomír Hnyk, Kamil Lang, Josep M Oliva-Enrich
Photochromic System among Boron Hydrides: The Hawthorne Rearrangement. The journal of physical chemistry letters 10 (20) (2019)
Mario Bakardjiev, Aleš RůŽička, Zdeňka Růžičková, Oleg L Tok, Josef Holub, Drahomír Hnyk, Jindřich Fanfrlík, Bohumil Štíbr
Synthesis of closo-1,2-H2C2B8Me8 and 1,2-H2C2B8Me7X (X = I and OTf) Dicarbaboranes and Their Rearrangement Reactions. Inorganic chemistry 58 (4) (2019)
Tomáš Baše, Josef Holub, Jindřich Fanfrlík, Drahomír Hnyk, Paul D Lane, Derek A Wann, Yury V Vishnevskiy, Denis Tikhonov, Christian G Reuter, Norbert W Mitzel
Icosahedral Carbaboranes with Peripheral Hydrogen-Chalcogenide Groups: Structures from Gas Electron Diffraction and Chemical Shielding in Solution. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (9) (2019)
Josef Holub, Jan Vrána, Aleš Růžička, Zdeňka Růžičková, Jindřich Fanfrlík, Drahomír Hnyk
Thiaboranes on Both Sides of the Icosahedral Barrier: Retaining and Breaking the Barrier with Carbon Functionalities. ChemPlusChem 84 (7) (2019)
Jan Vrána, Josef Holub, Zdeňka Růžičková, Jindřich Fanfrlík, Drahomír Hnyk, Aleš RůŽička
Investigation of Thiaborane closo- nido Conversion Pathways Promoted by N-Heterocyclic Carbenes. Inorganic chemistry 58 (4) (2019)
Mario Bakardjiev, Oleg L Tok, Aleš RůŽička, Zdeňka RůŽičková, Josef Holub, Drahomír Hnyk, Zbyněk Špalt, Jindřich Fanfrlík, Bohumil Štíbr
Methyl camouflage in the ten-vertex closo-dicarbaborane(10) series. Isolation of closo-1,6-R2C2B8Me8 (R = H and Me) and their monosubstituted analogues. Dalton transactions (Cambridge, England : 2003) 47 (32) (2018)
Mario Bakardjiev, Oleg L Tok, Aleš RůŽička, Zdeňka Růžičková, Josef Holub, Drahomír Hnyk, Jindřich Fanfrlík, Bohumil Štíbr
Quantitative syntheses of permethylated closo -1,10-R 2 C 2 B 8 Me 8 (R = H, Me) carboranes. Egg-shaped hydrocarbons on the Frontier between inorganic and organic chemistry. RSC advances 8 (67) (2018)
Klára Melánová, Josef Holub, Jan Hynek, Jindřich Fanfrlík, Ludvík Beneš, Petr Kutálek, Anna Krejčová, Drahomír Hnyk, Vítězslav Zima
Outerly functionalized and non-functionalized boron clusters intercalated into layered hydroxides with different modes of binding: materials for superacid storage. Dalton transactions (Cambridge, England : 2003) 47 (33) (2018)
Jan Macháček, Michael Bühl, Jindřich Fanfrlík, Drahomír Hnyk
Nuclear Magnetic Shielding of Monoboranes: Calculation and Assessment of 11B NMR Chemical Shifts in Planar BX3 and in Tetrahedral [BX4]- Systems. The journal of physical chemistry. A 121 (50) (2017)
Bohumil Štíbr, Josef Holub, Mario Bakardjiev, Paul D Lane, Michael L McKee, Derek A Wann, Drahomír Hnyk
Unusual Cage Rearrangements in 10-Vertex nido-5,6-Dicarbaborane Derivatives: An Interplay between Theory and Experiment. Inorganic chemistry 56 (2) (2016)