Theoretical Study of closo-Borate Anions [BnHn]2− (n = 5–12): Bonding, Atomic Charges, and Reactivity Analysis

Fused 1,2-Diboraoxazoles Based on closo-Decaborate Anion–Novel Members of Diboroheterocycle Class

(2021) Vera V. Voinova et al.   MOLECULES

Self-Assembly of Hydrogen-Bonded Cage Tetramers of Phosphonic Acid

(2021) Ivan S. Giba et al.   Symmetry-Basel

Theoretical study of monocarbonyl derivatives of closo-borate anions [B H–1CO]– (n= 6, 10, 12): bonding and reactivity analysis

(2020) Ilya N. Klyukin et al.   MENDELEEV COMMUNICATIONS

Synthesis of Polyhedral Borane Cluster Fused Heterocycles via Transition Metal Catalyzed B-H Activation

(2020) Ke Cao et al.   MOLECULES

Boron Chemistry for Medical Applications

(2020) Fayaz Ali et al.   MOLECULES

Redox-switchable carboranes for uranium capture and release

(2020) Megan Keener et al.   NATURE

Chemistry of Carba-closo-decaborate Anions [CB9H10]– (Review)

(2020) A. V. Shmal’ko et al.   RUSSIAN JOURNAL OF INORGANIC CHEMISTRY

Conceptual density functional theory: status, prospects, issues

(2020) Paul Geerlings et al.   THEORETICAL CHEMISTRY ACCOUNTS

Structural Diversity of Cationic Copper(II) Complexes with Neutral Nitrogen-Containing Organic Ligands in Compounds with Boron Cluster Anions and Their Derivatives (Review)

(2020) V. V. Avdeeva et al.   RUSSIAN JOURNAL OF INORGANIC CHEMISTRY

Understand the Specific Regio- and Enantioselectivity of Fluostatin Conjugation in the Post-Biosynthesis

(2020) Yuanqi Wang et al.   Biomolecules

Boron‐Containing Lipids and Liposomes: New Conjugates of Cholesterol with Polyhedral Boron Hydrides

(2020) Vladimir I. Bregadze et al.   CHEMISTRY-A EUROPEAN JOURNAL

Bispidine-based bis-azoles as a new family of supramolecular receptors: the theoretical approach

(2020) Sergey Z. Vatsadze et al.   MENDELEEV COMMUNICATIONS

Thermodynamic Hydricity of Small Borane Clusters and Polyhedral closo-Boranes

(2020) Igor E. Golub et al.   MOLECULES

Water-Soluble closo-Docecaborate-Containing Pteroyl Derivatives Targeting Folate Receptor-Positive Tumors for Boron Neutron Capture Therapy

(2020) Fumiko Nakagawa et al.   Cells

Theoretical study of closo-borate derivatives of general type [BnHn-1COR]2– (n = 6, 10, 12; R = H, CH3, NH2, OH, OCH3) – Borylated analogue of organic carbonyl compounds

(2020) Ilya N. Klyukin et al.   POLYHEDRON

Atomic Charges in Describing Properties of Aromatic Molecules

(2019) Valia Nikolova et al.   JOURNAL OF ORGANIC CHEMISTRY

Quantitative Assessment of B–B–B, B–Hb –B, and B–Ht Bonds: From BH3 to B12H122–

(2019) Daniel Sethio et al.   CHEMPHYSCHEM

Photooxidative Generation of Dodecaborate-Based Weakly Coordinating Anions

(2019) Jonathan C. Axtell et al.   INORGANIC CHEMISTRY

Nitrilium derivatives of polyhedral boron compounds (boranes, carboranes, metallocarboranes): Synthesis and reactivity

(2019) Marina Yu. Stogniy et al.   PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS

Ethanol- and Methanol-Coordinated and Solvent-Free Dodecahydro closo-Dodecaborates of 3d Transition Metals and of Magnesium

(2019) Emilie Didelot et al.   Crystals

Sterically Unprotected Nucleophilic Boron Cluster Reagents

(2019) Xin Mu et al.   Chem

Boron agents for neutron capture therapy

(2019) Kuan Hu et al.   COORDINATION CHEMISTRY REVIEWS

Global and local reactivity descriptors based on quadratic and linear energy models for α ,β -unsaturated organic compounds

(2018) Javier Oller et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Local reactivity through fukui function on endohedral mono-metallofullerenes

(2018) J.G. Rodríguez-Zavala   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Quantification and Theoretical Analysis of the Electrophilicities of Michael Acceptors

(2017) Dominik S. Allgäuer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

(2016) Luis Domingo et al.   MOLECULES

Theoretical study of H2 elimination from [B n H n + 1]− monoanions (n = 6–9, 11)

(2014) V. K. Kochnev et al.   RUSSIAN JOURNAL OF INORGANIC CHEMISTRY

Electrophile-Induced Nucleophilic Substitution of thenido-Dicarbaundecaborate Anionnido-7,8-C2B9H12−by Conjugated Heterodienes

(2013) René Frank et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical QTAIM, ELI-D, and Hirshfeld Surface Analysis of the Cu–(H)B Interaction in [Cu2(bipy)2B10H10]

(2013) Anna V. Vologzhanina et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Acid-Induced Opening of [closo-B10H10]2– as a New Route to 6-Substituted nido-B10H13 Decaboranes and Related Carboranes

(2012) Oleg Bondarev et al.   INORGANIC CHEMISTRY

Discrete Nanomolecular Polyhedral Borane Scaffold Supporting Multiple Gadolinium(III) Complexes as a High Performance MRI Contrast Agent

(2012) Lalit N. Goswami et al.   INORGANIC CHEMISTRY

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The ORCA program system

(2011) Frank Neese   Wiley Interdisciplinary Reviews-Computational Molecular Science

Topological Analysis of the Fukui Function

(2010) Patricio Fuentealba et al.   Journal of Chemical Theory and Computation

Cyclic oxonium derivatives of polyhedral boron hydrides and their synthetic applications

(2008) Andrey A. Semioshkin et al.   DALTON TRANSACTIONS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS