Quantitative investigation of bonding characteristics in ternary Zintl anions: Charge and energy analysis of [Sn2E152(ZnPh)]−(E15 = Sb, Bi) and [Sn2Sb5(ZnPh)2]3−

Density functional theory studies on the structure and electron distribution in the peroxide intermediate of the catalytic cycle of multicopper oxidases

(2013) Hristina Zhekova et al.   CANADIAN JOURNAL OF CHEMISTRY

Singlet 2-adamantylidene – an ambiphilic foiled carbene stabilized by hyperconjugation

(2013) Vallyanga Chalil Rojisha et al.   CHEMICAL COMMUNICATIONS

Reactivity of Dicoordinated Stannylones (Sn0) versus Stannylenes (SnII): An Investigation Using DFT-Based Reactivity Indices

(2013) Lies Broeckaert et al.   CHEMPHYSCHEM

Bonding Analysis of the Trimethylenemethane (TMM) Complexes [(η6-C6H6)M-TMM] (M = Fe, Ru, Os), [(η5-C5H5)M-TMM] (M = Co, Rh, Ir), and [(η4-C4H4)M-TMM] (M = Ni, Pd, Pt)

(2013) Masoumeh Mousavi et al.   ORGANOMETALLICS

Making practical use of the pseudo-element concept: an efficient way to ternary intermetalloid clusters by an isoelectronic Pb−–Bi combination

(2012) Rodica Ababei et al.   CHEMICAL COMMUNICATIONS

Subtle Impact of Atomic Ratio, Charge and Lewis Basicity on Structure Selection and Stability: The Zintl Anion [(La@In2Bi11)(μ-Bi)2(La@In2Bi11)]6−

(2012) Bastian Weinert et al.   CHEMISTRY-A EUROPEAN JOURNAL

From Wade–Mingos to Zintl–Klemm at 100 GPa: Binary Compounds of Boron and Lithium

(2012) Andreas Hermann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Zintl Ions, Cage Compounds, and Intermetalloid Clusters of Group 14 and Group 15 Elements

(2011) Sandra Scharfe et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bonding in Ammonia Borane: An Analysis Based on the Natural Orbitals for Chemical Valence and the Extended Transition State Method (ETS-NOCV)

(2011) Mariusz Paweł Mitoraj   JOURNAL OF PHYSICAL CHEMISTRY A

Building a Bridge between Coordination Compounds and Clusters: Bonding Analysis of the Icosahedral Molecules [M(ER)12] (M = Cr, Mo, W; E = Zn, Cd, Hg)

(2011) Moritz von Hopffgarten et al.   JOURNAL OF PHYSICAL CHEMISTRY A

[Pd3Sn8Bi6]4–: A 14-Vertex Sn/Bi Cluster Embedding a Pd3Triangle

(2011) Felicitas Lips et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis, Crystal and Electronic Structure of [K[18]crown-6)]2[Sn2Bi2]

(2011) Felicitas Lips et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

[Eu@Sn6Bi8]4−: A Mini-Fullerane-Type Zintl Anion Containing a Lanthanide Ion

(2010) Felicitas Lips et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molecular Alloys: Experimental and Theoretical Investigations on the Substitution of Zinc by Cadmium and Mercury in the Homologous Series [Mo(M′R)12] and [M(M′R)8] (M=Pd, Pt; M′=Zn, Cd, Hg)

(2010) Timo Bollermann et al.   CHEMISTRY-A EUROPEAN JOURNAL

Which atomic charges are best adapted to describe polyoxometalates?

(2010) Blandine Courcot et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Theoretical Analysis of the Resonance Assisted Hydrogen Bond Based on the Combined Extended Transition State Method and Natural Orbitals for Chemical Valence Scheme†

(2010) Rafał Kurczab et al.   JOURNAL OF PHYSICAL CHEMISTRY A

[Zn6Sn3Bi8]4−: Expanding the Intermetalloid Zintl Anion Concept to Ternary Systems

(2009) Felicitas Lips et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Subtle Influence of Binary versus Homoatomic Zintl Ions: The Phenyl-Ligated Trimetallic Cage [Sn2Sb5(ZnPh)2]3−

(2009) Felicitas Lips et al.   CHEMISTRY-A EUROPEAN JOURNAL

Theoretical Analysis of Bonding in N-Heterocyclic Carbene−Rhodium Complexes

(2009) Monika Srebro et al.   INORGANIC CHEMISTRY

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

(2009) Mariusz P. Mitoraj et al.   Journal of Chemical Theory and Computation

On the Nature of the Agostic Bond between Metal Centers and β-Hydrogen Atoms in Alkyl Complexes. An Analysis Based on the Extended Transition State Method and the Natural Orbitals for Chemical Valence Scheme (ETS-NOCV)

(2009) Mariusz P. Mitoraj et al.   ORGANOMETALLICS

Divalent Carbon(0) Chemistry, Part 1: Parent Compounds

(2008) Ralf Tonner et al.   CHEMISTRY-A EUROPEAN JOURNAL

Applications of natural orbitals for chemical valence in a description of bonding in conjugated molecules

(2008) Mariusz Mitoraj et al.   JOURNAL OF MOLECULAR MODELING

Bond Orbitals from Chemical Valence Theory

(2008) Artur Michalak et al.   JOURNAL OF PHYSICAL CHEMISTRY A