Area of research
Atomic and Molecular Physics, and Optics · Radiology, Nuclear Medicine and Imaging
Research interest
Research interests include Advanced Chemical Physics Studies, Boron Compounds in Chemistry, Boron and Carbon Nanomaterials Research, and Molecular Junctions and Nanostructures.
Interaction of a Porphyrin Aluminum Metal–Organic Framework with Volatile Organic Sulfur Compound Diethyl Sulfide Studied via In Situ and Ex Situ Experiments and DFT Computations
A zinc-containing porphyrin aluminum MOF in sorption of diethyl sulfide vapor: mechanistic experimental and computational study
Boron-based octahedral dication experimentally detected: DFT surface confirms its availability
A zinc-containing porphyrin aluminum MOF in sorption of diethyl sulfide vapor: mechanistic experimental and computational study.
Interaction of a Porphyrin Aluminum Metal-Organic Framework with Volatile Organic Sulfur Compound Diethyl Sulfide Studied via In Situ and Ex Situ Experiments and DFT Computations.
DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral closo Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability
DFT Surface Infers Ten-Vertex Cationic Carboranes from the Corresponding Neutral <i>closo</i> Ten-Vertex Family: The Computed Background Confirming Their Experimental Availability.
Ten-vertex closo-carboranes react with “wet” fluoride: A direct closo-to-arachno transformation as a result of a hydride transfer
Exploring the Reaction Mechanism of C–H Oxidation by Copper–Salen Complexes
Exploring the Reaction Mechanism of C-H Oxidation by Copper-Salen Complexes.
Access to cationic polyhedral carboranes via dynamic cage surgery with N-heterocyclic carbenes
Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: <i>Z</i>-rearrangement
Evaluation of packing single and multiple atoms and molecules in the porous organic cage CC3-<i>R</i>
Evaluation of packing single and multiple atoms and molecules in the porous organic cage CC3-<i>R</i>.
Interactions of Multiple Water Molecules with MIL-53(Al) and Understanding the Mechanism of Breathing: The DFT Study
Bromination Mechanism of <i>closo</i>‐1,2‐C<sub>2</sub>B<sub>10</sub>H<sub>12</sub> and the Structure of the Resulting 9‐Br‐<i>closo</i>‐1,2‐C<sub>2</sub>B<sub>10</sub>H<sub>11</sub> Determined by Gas Electron Diffraction
Reactions of Experimentally Known Closo-C2B8H10 with Bases. A Computational Study
Reactions of Experimentally Known Closo-C2B8H10 with Bases. A Computational Study
Irreducible Volar DRUJ Dislocation with Distal Radius Fracture Dislocation.
Theoretical Study of Methane Storage in Cu<sub>24</sub>(<i>m</i>-BDC)<sub>24</sub>
Theoretical Study of Methane Storage in Cu<sub>24</sub>(<i>m</i>-BDC)<sub>24</sub>.
Density Functional Study of Neutral and Charged Silver Clusters Ag<sub><i>n</i></sub> with <i>n</i> = 2–22. Evolution of Properties and Structure
Dimerization reactions of aryl selenophen-2-yl-substituted thiocarbonyl<i>S</i>-methanides as diradical processes: a computational study
The behavior of a paramagnetic system in electric and magnetic fields as exemplified by revisiting Li@B<sub>10</sub>H<sub>14</sub>
One-pot photo-synthesis and in-situ generation of hydrogen by silver/strontium titanate photocatalyst under visible or near-UV light and role of midgap states: Experiment and DFT computations
A New Nitrogenase Mechanism Using a CFe<sub>8</sub>S<sub>9</sub> Model: Does H<sub>2</sub> Elimination Activate the Complex to N<sub>2</sub> Addition to the Central Carbon Atom?
Computational Study of Reduction Potentials of Th<sup>4+</sup> Compounds and Hydrolysis of ThO<sub>2</sub>(H<sub>2</sub>O)<sub><i>n</i></sub>, <i>n</i> = 1, 2, 4
Unusual Cage Rearrangements in 10-Vertex <i>nido</i>-5,6-Dicarbaborane Derivatives: An Interplay between Theory and Experiment
Fluorescence of A100 MOF and Adsorption of Water, Indole, and Naphthalene on A100 by the Spectroscopic, Kinetic, and DFT Studies