Computational Studies on Azaphosphiridines, or How to Effect Ring-Opening Processes through Selective Bond Activation

Protonation-Induced Rearrangement of an Oxaphosphirane Complex

(2010) Janaina Marinas Pérez et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Nucleophilic Phosphinidene Complexes: Access and Applicability

(2010) Halil Aktaş et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Novel access to azaphosphiridine complexes and first applications using Brønsted acid-induced ring expansion reactions

(2010) Stefan Fankel et al.   DALTON TRANSACTIONS

Theoretical study of the mechanisms of the hydrolysis and condensation reactions of silicon and titanium alkoxides: similarities and differences

(2010) Igor S. Ignatyev et al.   DALTON TRANSACTIONS

Cationic, Neutral, and Anionic PNP PdIIand PtIIComplexes: Dearomatization by Deprotonation and Double-Deprotonation of Pincer Systems

(2010) Moran Feller et al.   INORGANIC CHEMISTRY

Efficient computation of compliance matrices in redundant internal coordinates from Cartesian Hessians for nonstationary points

(2010) Kai Brandhorst et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis and Structure−Activity Relationships of Novel 8a-Aza-8a-homoerythromycin A Ketolides

(2010) Dražen Pavlović et al.   JOURNAL OF MEDICINAL CHEMISTRY

Remarkable effect of hydroxylamine anion towards the solvolysis of sarin: A DFT study

(2010) Md Abdul Shafeeuulla Khan et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Si═X Multiple Bonding with Four-Coordinate Silicon? Insights into the Nature of the Si═O and Si═S Double Bonds in Stable Silanoic Esters and Related Thioesters: A Combined NMR Spectroscopic and Computational Study

(2010) Jan. D. Epping et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Phosphorus Version of the Oxaspiropentene−Cyclobutenone Rearrangement

(2010) Ngoc Hoa Tran Huy et al.   ORGANOMETALLICS

A Formal Carbon-Sulfur Triple Bond: HCSOH

(2009) Peter R. Schreiner et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Structure of 4,4-Bisphenylsulfonyl-N,N-dimethylbutylamine: Interplay of Intramolecular C–H···N, C–H···O=S, and π···π Interactions

(2009) Jiong Ran et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

An early–late heterobimetallic complex with an unsupported dative bond: synthesis and structure of [(Cy3P)2Pt–ZrCl4]

(2009) Holger Braunschweig et al.   CHEMICAL COMMUNICATIONS

Secondary Interactions in Phosphane-Functionalized Group 4 Cycloheptatrienyl-Cyclopentadienyl Sandwich Complexes

(2009) Susanne Büschel et al.   CHEMISTRY-A EUROPEAN JOURNAL

The Quest for Ring Opening of Oxaphosphirane Complexes: A Coupled-Cluster and Density Functional Study of CH3PO Isomers and Their Cr(CO)5Complexes

(2009) Oliver Krahe et al.   CHEMISTRY-A EUROPEAN JOURNAL

Selective Metal-Cation Recognition by [2.2]Ferrocenophanes: The Cases of Zinc- and Lithium-Sensing

(2009) Francisco Otón et al.   CHEMISTRY-A EUROPEAN JOURNAL

Orthogonal non-covalent binding forces in solid state supramolecular herringbone-shaped “interlocked dimers”. Pseudopolymorphism in [(ppy)Pd(μ-pz)]2 (ppy = 2-(2-pyridyl)phenyl, pz = pyrazol-1-yl) complex

(2009) José Pérez et al.   DALTON TRANSACTIONS

How To Tune Acid-Induced Ring Enlargement Reactions - The Strange Case of 2H-Azaphosphirene Complexes and Its Surprising Dichotomy

(2009) Holger Helten et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Strong Evidence for an Unprecedented Borderline Case of Dissociation and Cycloaddition in Open-Shell 1,3-Dipole Chemistry: Transient Nitrilium Phosphane-Ylide Complex Radical Cations

(2009) Holger Helten et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Mononuclear Ferrocenophane Structural Motifs with Two Thiourea Arms Acting as a Dual Binding Site for Anions and Cations

(2009) Francisco Otón et al.   INORGANIC CHEMISTRY

Hydrogen bonding in acetylacetaldehyde: Theoretical insights from the theory of atoms in molecules

(2009) A. Nowroozi et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Drug-receptor interaction-based quantitative structure-activity relationship of tetrahydroimidazodiazepinone

(2009) V. K. Sahu et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

A relook at the compliance constants in redundant internal coordinates and some new insights

(2009) M. Vijay Madhav et al.   JOURNAL OF CHEMICAL PHYSICS

Network of hydrogen bonds in Pro-Ala-Pro and Pro-Phe-Pro diamides: A first principles study of Ala→Phe point mutation in proline environment

(2009) Hui Wang et al.   JOURNAL OF CHEMICAL PHYSICS

The Emergence of Nonbulk Properties in Supported Metal Clusters: Negative Thermal Expansion and Atomic Disorder in Pt Nanoclusters Supported on γ-Al2O3

(2009) Sergio I. Sanchez et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Carboalumination of a chromium–chromium quintuple bond

(2009) Awal Noor et al.   Nature Chemistry

First Brønsted Acid-Induced Ring Expansion of an Oxaphosphirane Complex: A Combined Experimental and DFT Study

(2009) Holger Helten et al.   ORGANOMETALLICS

Formation of a Novel P,C-Cage Ligand via aP-C5Me5-Substituted Li/Cl Phosphinidenoid Complex

(2009) Maren Bode et al.   ORGANOMETALLICS

α-Metallocenylmethylium Ions and Their Isoelectronic Congeners: A Comparison Based on DFT Calculations

(2009) Christian Bleiholder et al.   ORGANOMETALLICS

Facile Synthesis of Pentacarbonyltungsten(0) Complexes with Oxaphosphirane Ligands

(2009) Rainer Streubel et al.   ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE

How strong is it? The interpretation of force and compliance constants as bond strength descriptors

(2008) Kai Brandhorst et al.   CHEMICAL SOCIETY REVIEWS

Isolation of the first Li/halogen phosphinidenoid transition-metal complex

(2008) Aysel Özbolat et al.   DALTON TRANSACTIONS

Metal-phosphido and -phosphinidene complexes in P–E bond-forming reactions

(2008) Rory Waterman   DALTON TRANSACTIONS

Crystal Packing in Di-(μ-OH)-ortho-palladated Complexes - A DFT Insight into the Molecular Structure and Solid-State Interactions

(2008) Jose Pérez et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Beckmann rearrangement of cyclotriveratrylene (CTV) oxime: tandem Beckmann-electrophilic aromatic addition

(2008) Marlon R. Lutz et al.   TETRAHEDRON LETTERS