The Lewis electron-pair bonding model: modern energy decomposition analysis

The Lewis electron-pair bonding model: the physical background, one century later

(2019) Lili Zhao et al.   Nature Reviews Chemistry

Dative and Electron-Sharing Bonding in C2 F4

(2018) Diego M. Andrada et al.   CHEMISTRY-A EUROPEAN JOURNAL

Dative versus electron-sharing bonding in N-oxides and phosphane oxides R3EO and relative energies of the R2EOR isomers (E = N, P; R = H, F, Cl, Me, Ph). A theoretical study

(2018) Tao Yang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Intuitive Quantifiers of Charge Flows in Coordinate Bonding

(2017) Erik P. A. Couzijn et al.   ORGANOMETALLICS

Energy decomposition analysis of single bonds within Kohn–Sham density functional theory

(2017) Daniel S. Levine et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Energy decomposition analysis

(2017) Lili Zhao et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Precursor States of Organic Adsorbates on Semiconductor Surfaces are Chemisorbed and Immobile

(2016) Josua Pecher et al.   CHEMPHYSCHEM

Variational Energy Decomposition Analysis of Chemical Bonding. 1. Spin-Pure Analysis of Single Bonds

(2016) Daniel S. Levine et al.   Journal of Chemical Theory and Computation

The Structure of the Carbene Stabilized Si2H2 May Be Equally Well Described with Coordinate Bonds as with Classical Double Bonds

(2016) Chandrajeet Mohapatra et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formation and Characterization of the Boron Dicarbonyl Complex [B(CO)2]−

(2015) Qingnan Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Stabilization of Heterodiatomic SiC Through Ligand Donation: Theoretical Investigation of SiC(L)2(L=NHCMe, CAACMe, PMe3)

(2015) Diego M. Andrada et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

London Dispersion in Molecular Chemistry-Reconsidering Steric Effects

(2015) J. Philipp Wagner et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Synthesis of B2(SIDip)2and its Reactivity Between the Diboracumulenic and Diborynic Extremes

(2015) Julian Böhnke et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cyclic trinuclear copper(i), silver(i), and gold(i) complexes: a theoretical insight

(2015) Giovanni F. Caramori et al.   DALTON TRANSACTIONS

A periodic energy decomposition analysis method for the investigation of chemical bonding in extended systems

(2015) Marc Raupach et al.   JOURNAL OF CHEMICAL PHYSICS

Nature of the Chemical Bond and Origin of the Inverted Dipole Moment in Boron Fluoride: A Generalized Valence Bond Approach

(2015) Felipe Fantuzzi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Experimental Assessment of the Strengths of B–B Triple Bonds

(2015) Julian Böhnke et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Erratum to: Comparative bonding analysis of N2 and P2 versus tetrahedral N4 and P4

(2015) P. Jerabek et al.   THEORETICAL CHEMISTRY ACCOUNTS

The boron–boron triple bond in NHC→BB←NHC

(2015) Nicole Holzmann et al.   Chemical Science

Spying on the boron–boron triple bond using spin–spin coupling measured from 11B solid-state NMR spectroscopy

(2015) Frédéric A. Perras et al.   Chemical Science

The boron–boron triple bond? A thermodynamic and force field based interpretation of the N-heterocyclic carbene (NHC) stabilization procedure

(2015) R. Köppe et al.   Chemical Science

Diborabutatriene: An Electron-Deficient Cumulene

(2014) Julian Böhnke et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Coinage Metals Binding as Main Group Elements: Structure and Bonding of the Carbene Complexes [TM(cAAC)2] and [TM(cAAC)2]+ (TM = Cu, Ag, Au)

(2014) Paul Jerabek et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stabilization of a Cobalt–Cobalt Bond by Two Cyclic Alkyl Amino Carbenes

(2014) Kartik Chandra Mondal et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Comparative bonding analysis of N2 and P2 versus tetrahedral N4 and P4

(2014) P. Jerabek et al.   THEORETICAL CHEMISTRY ACCOUNTS

Isolation of Neutral Mono- and Dinuclear Gold Complexes of Cyclic (Alkyl)(amino)carbenes

(2013) David S. Weinberger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Tris(alkyne) and Bis(alkyne) Complexes of Coinage Metals: Synthesis and Characterization of (cyclooctyne)3M+ (M = Cu, Ag) and (cyclooctyne)2Au+ and Coinage Metal (M = Cu, Ag, Au) Family Group Trends

(2013) Animesh Das et al.   ORGANOMETALLICS

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

Exploiting the Twofold Donor Ability of Carbodiphosphoranes: Theoretical Studies of [(PPh3)2C→EH2]q(Eq=Be, B+, C2+, N3+, O4+) and Synthesis of the Dication [(Ph3P)2CCH2]2+

(2013) Mehmet Ali Celik et al.   ChemPlusChem

Transition-Metal Complexes of Tetrylones [(CO)5W-E(PPh3)2] and Tetrylenes [(CO)5W-NHE] (E=C-Pb): A Theoretical Study

(2012) Thi Ai Nhung Nguyen et al.   CHEMISTRY-A EUROPEAN JOURNAL

End-On and Side-On π-Acid Ligand Adducts of Gold(I): Carbonyl, Cyanide, Isocyanide, and Cyclooctyne Gold(I) Complexes Supported by N-Heterocyclic Carbenes and Phosphines

(2012) Mehmet Ali Celik et al.   INORGANIC CHEMISTRY

Ambient-Temperature Isolation of a Compound with a Boron-Boron Triple Bond

(2012) H. Braunschweig et al.   SCIENCE

A Boron-Boron Triple Bond

(2012) G. Frenking et al.   SCIENCE

Structures and Stabilities of Group 13 Adducts [(NHC)(EX3)] and [(NHC)2(E2Xn)] (E=B to In; X=H, Cl; n=4, 2, 0; NHC=N-Heterocyclic Carbene) and the Search for Hydrogen Storage Systems: A Theoretical Study

(2011) Nicole Holzmann et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

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

A Combined Charge and Energy Decomposition Scheme for Bond Analysis

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

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

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

Bond Orbitals from Chemical Valence Theory

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