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Two Different Pathways in the Reduction of [(S=)PCl(μ-NtBu)]2 with Na
Deependra Bawari et al.
CHEMISTRY-A EUROPEAN JOURNAL (2016)
Synthesis of a Molecule with Four Different Adjacent Pnictogens
Alexander Hinz et al.
CHEMISTRY-A EUROPEAN JOURNAL (2016)
Reduction of dichloro(diaza-phospha)stibanes - isolation of a donor-stabilized distibenium dication
Alexander Hinz et al.
DALTON TRANSACTIONS (2016)
Synthesis of a Silylated Phosphorus Biradicaloid and Its Utilization in the Activation of Small Molecules
Alexander Hinz et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2016)
What is NBO analysis and how is it useful?
F. Weinhold et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2016)
Can a Topological Approach Predict Spin-Symmetry Breaking in Conjugated Hydrocarbons?
Jean-Paul Malrieu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
An External Electric Field Manipulated Second-Order Nonlinear Optical Switch of an Electride Molecule: A Long-Range Electron Transfer Forms a Lone Excess Electron Pair and Quenches Singlet Diradical
Jia-Jun Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Pnictogen-Silicon Analogues of Benzene
Andreas E. Seitz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Isolable Diphosphorus-Centered Radical Anion and Diradical Dianion
Gengwen Tan et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Singlet (Phosphino)phosphinidenes are Electrophilic
Max M. Hansmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Transition-Metal-like Behavior of Main Group Elements: Ligand Exchange at a Phosphinidene
Max M. Hansmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Isolation of a Heavier Cyclobutadiene Analogue: 2,4-Digerma-1,3-diphosphacyclobutadiene
Yile Wu et al.
ORGANOMETALLICS (2016)
[ClP(μ-PMes*)]2-A versatile reagent in phosphorus chemistry
Jonas Bresien et al.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS (2016)
Separation of dynamic and nondynamic correlation
Eloy Ramos-Cordoba et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
The stability of biradicaloid versus closed-shell [E(μ-XR)]2 (E = P, As; X = N, P, As) rings. Does aromaticity play a role?
Rafael Grande-Aztatzi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Biradicaloid with a Twist: Lowering the Singlet-Triplet Gap
Prince Ravat et al.
SYNLETT (2016)
Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements
Alexander Hinz et al.
CHEMICAL SCIENCE (2016)
Ambiphilic boron in 1,4,2,5-diazadiborinine
Baolin Wang et al.
NATURE COMMUNICATIONS (2016)
Nonlinear optical properties in open-shell molecular systems
Masayoshi Nakano et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2016)
Exploration of 1-Arylmethyl-1,3-diphosphacyclobutane-2,4-diyls as Hole Transfer Materials
Shigekazu Ito et al.
CHEMISTRYSELECT (2016)
A Singlet Phosphinidene Stable at Room Temperature
Liu Liu et al.
CHEM (2016)
Observation of a Thermally Accessible Triplet State Resulting from Rotation around a Main-Group π Bond
Arseni Kostenko et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Stepwise Reduction of 9,10-Bis(dimesitylboryl)anthracene
Yang Zheng et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Cyclic Group 15 Radical Cations
Angelika Brueckner et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Low-Temperature Isolation of the Bicyclic Phosphinophosphonium Salt [Mes*2P4Cl][GaCl4]
Jonas Bresien et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
A Practicable Real-Space Measure and Visualization of Static Electron-Correlation Effects
Stefan Grimme et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Visible-Light-Activated Molecular Switches
David Bleger et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
P-P σ-bond activation by gold(I) coordination
Alexander Hinz et al.
CHEMICAL COMMUNICATIONS (2015)
Pro-aromatic and anti-aromatic pi-conjugated molecules: an irresistible wish to be diradicals
Zebing Zeng et al.
CHEMICAL SOCIETY REVIEWS (2015)
Towards single molecule switches
Jia Lin Zhang et al.
CHEMICAL SOCIETY REVIEWS (2015)
1,3,5-[tBu2MeSi)2Si]3C6H3: Isolable Si-centered Triradical with a High-spin Quartet Ground State
Takeshi Nozawa et al.
CHEMISTRY LETTERS (2015)
Recent Progress in Quinoidal Singlet Biradical Molecules
Takashi Kubo
CHEMISTRY LETTERS (2015)
Unusual Bonding and Properties in Main Group Element Chemistry: Rational Synthesis, Characterization, and Experimental Electron Density Determination of Mixed-Valent Tetraphosphetes
Verena Breuers et al.
CHEMISTRY-A EUROPEAN JOURNAL (2015)
Radical ligand-containing single-molecule magnets
Selvan Demir et al.
COORDINATION CHEMISTRY REVIEWS (2015)
Chemical Detection of Hydrogen Fluoride by the Phosphorus Congener of Cyclobutane-1,3-diyl
Yasuhiro Ueta et al.
INORGANIC CHEMISTRY (2015)
Stability, Reactivity, Selectivity, Catalysis, and Predictions of 1,3,2,5-Diazadiborinine: Computational Insight into a Boron-Boron Frustrated Lewis Pair
Liu Liu et al.
JOURNAL OF ORGANIC CHEMISTRY (2015)
High-Spin Organic Molecules
Nolan M. Gallagher et al.
JOURNAL OF ORGANIC CHEMISTRY (2015)
Theoretical Study on the Enhancement of the Second Hyperpolarizabilities of Si-, Ge-Disubstituted Quinodimethanes: Synergy Effects of Open-Shell Nature and Intramolecular Charge Transfer
Kotaro Fukuda et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2015)
An Electrochromic Instable Molecular Switch
Junling Sun et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Cyclo-Pnicta-triazanes: Biradicaloids or Zwitterions?
Alexander Hinz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Tunable Cyclopentane-1,3-diyls Generated by Insertion of Isonitriles into Diphosphadiazanediyls
Alexander Hinz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Electron Delocalization in Reduced Forms of 2-(BMes2)pyrene and 2,7-Bis(BMes2)pyrene
Lei Ji et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Reversible [4+2] cycloaddition reaction of 1,3,2,5-diazadiborinine with ethylene
Di Wu et al.
CHEMICAL SCIENCE (2015)
Ion-mediated conformational switches
Peter C. Knipe et al.
CHEMICAL SCIENCE (2015)
Cationic cluster formation versus disproportionation of low-valent indium and gallium complexes of 2,2′-bipyridine
Martin R. Lichtenthaler et al.
NATURE COMMUNICATIONS (2015)
1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres
Di Wu et al.
NATURE COMMUNICATIONS (2015)
Theory and practice of uncommon molecular electronic configurations
Ganna Gryn'ova et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2015)
Spin-Labelling of Host-Guest Assemblies with Nitroxide Radicals
Elisabetta Mezzina et al.
ASIAN JOURNAL OF ORGANIC CHEMISTRY (2015)
Cyclic (Alkyl)(Amino)Carbenes (CAACs): Stable Carbenes on the Rise
Michele Soleilhavoup et al.
ACCOUNTS OF CHEMICAL RESEARCH (2015)
A Mixed Arsenic-Phosphorus Centered Biradicaloid
Alexander Hinz et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Reactivity of a Stable Phosphinonitrene towards Small Molecules
Fabian Dielmann et al.
CHEMISTRY-A EUROPEAN JOURNAL (2015)
The Air-Stable P-Heterocyclic Biradical for OFET Devices
Shigekazu Ito et al.
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS (2015)
Organic Electron Donors as Powerful Single-Electron Reducing Agents in Organic Synthesis
Julie Broggi et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Synthesis and structures of 1,3-bis(organochalcogenyl) distannatrisilabicyclo[1.1.1]pentanes
Eric Moos et al.
CANADIAN JOURNAL OF CHEMISTRY (2014)
A singly bonded amido-distannyne: H-2 activation and isocyanide coordination
Terrance J. Hadlington et al.
CHEMICAL COMMUNICATIONS (2014)
Magnetic Interactions in Molecules and Highly Correlated Materials: Physical Content, Analytical Derivation, and Rigorous Extraction of Magnetic Hamiltonians
Jean Paul Malrieu et al.
CHEMICAL REVIEWS (2014)
Dimers and Trimers of Diphosphenes: A Wealth of Cyclo-Phosphanes
Jonas Bresien et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
Activation of Small Molecules by Phosphorus Biradicaloids
Alexander Hinz et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
New P-N Cage Compounds Generated by Small-Molecule Activation
Alexander Hinz et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
A New Class of Azadipnictiridines Generated by an Unusual Rearrangement Reaction
Alexander Hinz et al.
INORGANIC CHEMISTRY (2014)
Computational quantum chemistry for single Heisenberg spin couplings made simple: Just one spin flip required
Nicholas J. Mayhall et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
How Much Tetraradical Character Is Present in the Si6Ge9 Cluster?
David Casanova
JOURNAL OF COMPUTATIONAL CHEMISTRY (2014)
Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride
Kartik Chandra Mondal et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Isolation of Bridging and Terminal Coinage Metal-Nitrene Complexes
Fabian Dielmann et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
1,4-Bis(trimethylsilyl)-1,4-diaza-2,5-cyclohexadienes as Strong Salt-Free Reductants for Generating Low-Valent Early Transition Metals with Electron-Donating Ligands
Teruhiko Saito et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
On the Bonding Nature of Ozone (O3) and Its Sulfur-Substituted Analogues SO2, OS2, and S3: Correlation between Their Biradical Character and Molecular Properties
Evangelos Miliordos et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
Highly Chemoselective Reduction of Amides (Primary, Secondary, Tertiary) to Alcohols using SmI2/Amine/H2O under Mild Conditions
Michal Szostak et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)
On The Steric Hindrance of Bulky Substituents - Determination of Their Cone Angles
Axel Schulz
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE (2014)
Conversion of a Singlet Silylene to a stable Biradical
Kartik Chandra Mondal et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
An Arsenic-Nitrogen Biradicaloid: Synthesis, Properties, and Reactivity
Serhiy Demeshko et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
A Stable Singlet Biradicaloid Siladicarbene: (L:)(2)Si
Kartik Chandra Mondal et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Multiple Reduction of 2,5-Bis(borolyl)thiophene: Isolation of a Negative Bipolaron by Comproportionation
Holger Braunschweig et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)
Development of a Metal-Ion-Mediated Base Pair for Electron Transfer in DNA
Thomas Ehrenschwender et al.
CHEMISTRY-A EUROPEAN JOURNAL (2013)
Silyl Effects on 1,3-Diphosphacyclobutane-2,4-diyl: Ring-Opening of Tetrahydrofuran and Promotion of Reductive PC Cleavage
Shigekazu Ito et al.
CHEMISTRY-AN ASIAN JOURNAL (2013)
Exact Ligand Solid Angles
Jenna A. Bilbrey et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Photochromic Switching of Diradical Character: Design of Efficient Nonlinear Optical Switches
Katsuki Okuno et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2013)
Spirobis(pentagerma[1.1.1]propellane): A Stable Tetraradicaloid
Yuki Ito et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
A Singlet Biradicaloid Zinc Compound and Its Nonradical Counterpart
Amit Pratap Singh et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom
Yan Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
A Noncovalently Reversible Paramagnetic Switch in Water
Alexander T. Buck et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Direct Arylations for Study of the Air-Stable P-Heterocyclic Biradical: From Wide Electronic Tuning to Characterization of the Localized Radicalic Electrons
Shigekazu Ito et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)
Through-space Electrostatic Interaction between the Electron-donating 1,3-Diphosphacyclobutane-2,4-diyl Units
Shigekazu Ito et al.
ORGANIC LETTERS (2013)
Heavier Main Group Dimetallene Reactivity: Effects of Frontier Orbital Symmetry
Christine A. Caputo et al.
ORGANOMETALLICS (2013)
Infrared Absorption Spectrum of the Simplest Criegee Intermediate CH2OO
Yu-Te Su et al.
SCIENCE (2013)
Carbene-stabilized main group radicals and radical ions
Caleb D. Martin et al.
CHEMICAL SCIENCE (2013)
Forty years of Clar's aromatic pi-sextet rule
Miquel Sola
FRONTIERS IN CHEMISTRY (2013)
The chemistry of localized singlet 1,3-diradicals (biradicals): from putative intermediates to persistent species and unusual molecules with a π-single bonded character
Manabu Abe et al.
CHEMICAL SOCIETY REVIEWS (2012)
Can Aromaticity Coexist with Diradical Character? An Ab Initio Valence Bond Study of S2N2 and Related 6p-Electron Four-Membered Rings E2N2 and E42+(E=S, Se, Te)
Benoit Braida et al.
CHEMPHYSCHEM (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Bis-dibenzo[a.i]fluorenylidene, does it exist as stable 1,2-diradical?
Basem Kanawati et al.
JOURNAL OF MOLECULAR MODELING (2012)
Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization
Eric L. Dane et al.
JOURNAL OF ORGANIC CHEMISTRY (2012)
A Recipe for Geometry Optimization of Diradicalar Singlet States from Broken-Symmetry Calculations
Jean-Paul Malrieu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Spectroscopic and stability studies on unsymmetrical 1,3-dialkyl-1,3-diphosphacyclobutane-2,4-diyls
Shigekazu Ito et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2012)
A Crystalline Singlet Phosphinonitrene: A Nitrogen Atom-Transfer Agent
Fabian Dielmann et al.
SCIENCE (2012)
Energy decomposition analysis
Moritz von Hopffgarten et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)
Interaction of Multiple Bonded and Unsaturated Heavier Main Group Compounds with Hydrogen, Ammonia, Olefins, and Related Molecules
Philip P. Power
ACCOUNTS OF CHEMICAL RESEARCH (2011)
A Stable Cation of a CSi3P Five-Membered Ring with a Weakly Coordinating Chloride Anion
Sakya S. Sen et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Zwitterionic Si-C-Si-P and Si-P-Si-P Four-Membered Rings with Two-Coordinate Phosphorus Atoms
Sakya S. Sen et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
A Light-Stimulated Molecular Switch Driven by Radical-Radical Interactions in Water
Hao Li et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
[P(mu-NTer)](2): A Biradicaloid That Is Stable at High Temperature
Torsten Beweries et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
A Stable Derivative of the Global Minimum on the Si6H6 Potential Energy Surface
Kai Abersfelder et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
Steric Crowding Can Stabilize a Labile Molecule: Solving the Hexaphenylethane Riddle
Stefan Grimme et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)
The two faces of static correlation
Joshua W. Hollett et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Extraordinary Difference in Reactivity of Ozone (OOO) and Sulfur Dioxide (OSO): A Theoretical Study
Yu Lan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
The Nature of the Idealized Triple Bonds Between Principal Elements and the σ Origins of Trans-Bent Geometries-A Valence Bond Study
Elina Ploshnik et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
An Ylide-like Phosphasilene and Striking Formation of a 4π-Electron, Resonance-Stabilized 2,4-Disila-1,3-diphosphacyclobutadiene
Shigeyoshi Inoue et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Theoretical Prediction on the Thermal Stability of Cyclic Ozone and Strong Oxygen Tunneling
Jien-Lian Chen et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Isolable p- and m-[(tBu2MeSi)2Si]2C6H4: Disilaquinodimethane vs Triplet Bis(silyl radical)
Takeshi Nozawa et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Access to a Stable Si2N2 Four-Membered Ring with Non-Kekule Singlet Biradical Character from a Disilyne
Katsuhiko Takeuchi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
Photoswitchable Intramolecular Through-Space Magnetic Interaction
Jiaobing Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)
The synergy between qualitative theory, quantitative calculations, and direct experiments in understanding, calculating, and measuring the energy differences between the lowest singlet and triplet states of organic diradicals
W. Carl Lineberger et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
Lars Goerigk et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
(Hyper)polarizability density analysis for open-shell molecular systems based on natural orbitals and occupation numbers
Masayoshi Nakano et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
Photoswitches: From Molecules to Materials
Maria-Melanie Russew et al.
ADVANCED MATERIALS (2010)
beta-Diketiminate-Stabilized Magnesium(I) Dimers and Magnesium(II) Hydride Complexes: Synthesis, Characterization, Adduct Formation, and Reactivity Studies
Simon J. Bonyhady et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
Synthesis and physicochemical properties of stable 1,3-diphosphacyclobutane-2,4-diyls bearing sulfanyl groups
Shigekazu Ito et al.
COMPTES RENDUS CHIMIE (2010)
Non-innocent ligands in bioinorganic chemistry-An overview
Wolfgang Kaim et al.
COORDINATION CHEMISTRY REVIEWS (2010)
Diverse reactions of sterically-protected 1,3-diphosphacyclobutane-2,4-diyls with hydride
Shigekazu Ito et al.
DALTON TRANSACTIONS (2010)
meta-Terphenyl Phosphaalkenes Bearing Electron-Donating and -Accepting Groups
Vittal B. Gudimeta et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2010)
Nature of Bonding in Group 13 Dimetallenes: a Delicate Balance between Singlet Diradical Character and Closed Shell Interactions
Jani Moilanen et al.
INORGANIC CHEMISTRY (2010)
Analysis of Bonding Patterns in the Valence Isoelectronic Series O3, S3, SO2, and OS2 in Terms of Oriented Quasi-Atomic Molecular Orbitals
Vassiliki-Alexandra Glezakou et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Singlet Diradical Character from Experiment
Kenji Kamada et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)
On the nature of some biradicaloid and antiaromatic Vis/NIR-chromophores
Juergen Fabian et al.
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY (2010)
Theoretical Study of Substituted PBPB Dimers: Structural Analysis, Tetraradical Character, and Excited States
Franziska Bell et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Double Protonation of 1,5-Bis(triarylaminoethynyl)anthraquinone To Form a Paramagnetic Pentacyclic Dipyrylium Salt
Koya Prabhakara Rao et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Flexibility of N-Heterocyclic Carbene Ligands in Ruthenium Complexes Relevant to Olefin Metathesis and Their Impact in the First Coordination Sphere of the Metal
Francesco Ragone et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Synthesis of a Pentasilapropellane. Exploring the Nature of a Stretched Silicon-Silicon Bond in a Nonclassical Molecule
Dominik Nied et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Snapshots of the Al-Al sigma-Bond Formation Starting from {AlR2} Units: Experimental and Computational Observations
Patrick Henke et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
The regioselective photochemical rearrangement of α-[PNtBu]4
Henrike Bladt et al.
CHEMICAL COMMUNICATIONS (2009)
Beyond Conventional N-Heterocyclic Carbenes: Abnormal, Remote, and Other Classes of NHC Ligands with Reduced Heteroatom Stabilization
Oliver Schuster et al.
CHEMICAL REVIEWS (2009)
Molecular Double-Bond Covalent Radii for Elements Li-E112
Pekka Pyykko et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
SambVca: A Web Application for the Calculation of the Buried Volume of N-Heterocyclic Carbene Ligands
Albert Poater et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2009)
m-Terphenylphosphines: Synthesis, structures and coordination properties
Bryan Buster et al.
INORGANICA CHIMICA ACTA (2009)
Consistent van der Waals Radii for the Whole Main Group
Manjeera Mantina et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Catenation of 1,3-Diphosphacyclobutane-2,4-diyl Units Having 2,4,6-Tri-tert-butylphenyl Protecting Groups and a P-sec-Butyl Group in the Ring
Shigekazu Ito et al.
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE (2009)
Molecular magnesium(I) compounds: From curiosity to kudos
Matthias Westerhausen
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)
Generation of a triplet diradical from a donor-acceptor cross conjugate upon acid-induced electron transfer
Mats O. Sandberg et al.
CHEMICAL COMMUNICATIONS (2008)
CuH-catalyzed reactions
Carl Deutsch et al.
CHEMICAL REVIEWS (2008)
Tetraazafulvalene: Organic sodium
Robert D. Richardson et al.
CHEMIE IN UNSERER ZEIT (2008)
Reduction of Δ2-Isoxazolines to β-Hydroxy Ketones with Iron and Ammonium Chloride as Reducing Agent
Dahong Jiang et al.
JOURNAL OF ORGANIC CHEMISTRY (2008)
DIRECT SYNTHESIS OF 2,5-DIHALOSILOLES (2,5-Dibromo-1,1-dimethyl-3,4-diphenyl-1H-silole)
Nicholas A. Morra et al.
ORGANIC SYNTHESES (2008)
Substituent effects in formally quintuple-bonded ArCrCrAr compounds (Ar = terphenyl) and related species
Robert Wolf et al.
INORGANIC CHEMISTRY (2007)
Stable magnesium(I) compounds with Mg-Mg bonds
Shaun P. Green et al.
SCIENCE (2007)
Multiple bonding in heavier element compounds stabilized by bulky terphenyl Ligands
Eric Rivard et al.
INORGANIC CHEMISTRY (2007)
Let's play with valence isomers: The influence of different main group elements on their relative stability
Michele Soleilhavoup et al.
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN (2007)
Steric effect: A quantitative description from density functional theory
Shubin Liu
JOURNAL OF CHEMICAL PHYSICS (2007)
Synthesis and properties of air-stable 1,3-diphosphacyclobutane-2,4-diyls and the related compounds
Shigekazu Ito et al.
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2007)
Thermal valence isomerization of 2,3-diborata-1,4-diphosphoniabuta-1,3-dienes to bicyclo[1.1.0]butanes and cyclobutane-1,3-diyls
Jean-Baptiste Bourg et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Chemistry of pnictogen(III)-nitrogen ring systems
Maravanji S. Balakrishna et al.
CHEMICAL SOCIETY REVIEWS (2007)
1,3-DICHLOROACETONE AS A CYCLOPROPANONE EQUIVALENT: 5-OXASPIRO[3.4]OCTAN-1-ONE
David G. Hilmey et al.
ORGANIC SYNTHESES (2007)
Stereoelectronic parameters associated with N-heterocyclic carbene (NHC) ligands: A quest for understanding
Silvia Diez-Gonzalez et al.
COORDINATION CHEMISTRY REVIEWS (2007)
Stretching bonds in main group element compounds - Borderlines between biradicals and closed-shell species
Frank Breher
COORDINATION CHEMISTRY REVIEWS (2007)
Glossary of terms used in Photochemistry 3(rd) Edition (IUPAC Recommendations 2006)
S. E. Braslavsky
PURE AND APPLIED CHEMISTRY (2007)
Study of singlet-triplet transitions in the ozone molecule using the multiconfigurational self-consistent field theory
B. F. Minaev et al.
HIGH ENERGY CHEMISTRY (2006)
Ab initio quantum chemistry calculations on the electronic structure of heavier alkyne congeners: Diradical character and reactivity
Yousung Jung et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Lost topological (Berry) phase factor in electronic structure calculations. Example: The ozone molecule
P Garcia-Fernandez et al.
PHYSICAL REVIEW LETTERS (2006)
Synthesis of the sterically encumbering terphenyl silyl and alkyl amines HN(R)ArMes2 (R = Me and SiMe3) their lithium derivatives LiN(R)ArMes2 and the tertiary amine Me2NArMes2
RJ Wright et al.
INORGANICA CHIMICA ACTA (2006)
Nature of the chemical bond in polypnictides:: The lone pair aromatic anions P42- and As42-
F Kraus et al.
INORGANIC CHEMISTRY (2006)
Pulse EPR methods for studying chemical and biological samples containing transition metals
Carlos Calle et al.
HELVETICA CHIMICA ACTA (2006)
Charge-shift bonding - A class of electron-pair bonds that emerges from valence bond theory and is supported by the electron localization function approach
S Shaik et al.
CHEMISTRY-A EUROPEAN JOURNAL (2005)
Electronic Structures and Molecular Properties of Chalcogen Nitrates Se2N2 and SeSN2
HM Tuononen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Syntheses and reactivity of novel unsaturated cyclic compounds containing phosphorus atoms
M Yoshifuji et al.
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2005)
Synthesis and some reactivity studies of germanium, tin and lead analogues of alkynes
PP Power
APPLIED ORGANOMETALLIC CHEMISTRY (2005)
Electronic structures and properties of twisted polyacenes
JE Norton et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Second hyperpolarizability (γ) of singlet diradical system:: Dependence of γ on the diradical character
M Nakano et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
Stable cyclic (alkyl) (amino) carbenes as rigid or flexible, bulky, electron-rich ligands for transition-metal catalysts: A quaternary carbon atom makes the difference
V Lavallo et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Aromaticity of four-membered-ring 6π-electron systems:: N2S2 and Li2C4H4
YS Jung et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Radical-type reactivity of the 1,3-dibora-2,4-diphosphoniocyclobutane-1,3-diyl
H Amii et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Synthesis and characterization of Ge2{Sn(X)A#}3 and Ga2{Ge(X)Ar#}3 (Ar# = C6H3-2,6-Mes2), X = (Cl/I):: Rare examples of mixed heavier group 14/14, 13/14 element clusters
AF Richards et al.
ORGANOMETALLICS (2004)
Electronic structures and spectroscopic properties of 6π-electron ring molecules and ions E2N2 and E42+ (E = S, Se, Te)
HM Tuononen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
Oligoacenes: Theoretical prediction of open-shell singlet diradical ground states
M Bendikov et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Synthesis and characterization of the non-kekule, singlet biradicaloid Ar'Ge(μ-NSiMe3)2GeAr′ (Ar′=2,6-dipp2C6H3, dipp=2,6-i-Pr2C6H3)
CM Cui et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Evidence for the coexistence of two bond-stretch isomers in solution
A Rodriguez et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2004)
The first structural characterisation of a group 2 metal alkylperoxide complex:: Comments on the cleavage of dioxygen by magnesium alkyl complexes
PL Bailey et al.
CHEMISTRY-A EUROPEAN JOURNAL (2003)
Analysis and interpretation of metal-radical coupling in a series of square planar nickel complexes:: Correlated ab initio and density functional investigation of [Ni(LISQ)2] (LISQ=3,5-di-tert-butyl-o-diiminobenzosemiquinonate(1-))
D Herebian et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
The vibrational spectrum of cyclic ozone
R Siebert et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Utility of neodymium diiodide as a reductant in ketone coupling reactions
WJ Evans et al.
ORGANIC LETTERS (2003)
Large scale synthesis of dysprosium and neodymium diiodides
WJ Evans et al.
INORGANIC CHEMISTRY (2003)
Physical mechanisms of generation and deactivation of singlet oxygen
C Schweitzer et al.
CHEMICAL REVIEWS (2003)
How diradicaloid is a stable diradical?
YS Jung et al.
CHEMPHYSCHEM (2003)
Metastable states of ozone calculated on an accurate potential energy surface
D Babikov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
The titanocene complex of bis(trimethylsilyl)acetylene: Synthesis, structure, and chemistry
U Rosenthal et al.
ORGANOMETALLICS (2003)
Persistent and stable radicals of the heavier main group elements and related species
PP Power
CHEMICAL REVIEWS (2003)
n-electron valence state perturbation theory:: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants
C Angeli et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
The asymptotic region of the potential energy surfaces relevant for the O(3P)+O2(X 3Σg-)⇆O3 reaction
P Rosmus et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Isolable silyl and germyl radicals lacking conjugation with π-bonds:: Synthesis, characterization, and reactivity
A Sekiguchi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Theoretical evidence for the singlet diradical character of square planar nickel complexes containing two ο-semiquinonato type ligands
V Bachler et al.
INORGANIC CHEMISTRY (2002)
The vibrational energies of ozone up to the dissociation threshold:: Dynamics calculations on an accurate potential energy surface
R Siebert et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Singlet diradicals: from transition states to crystalline compounds
D Scheschkewitz et al.
SCIENCE (2002)
An isolated cyclo-tetraarsendiide: low temperature synthesis and crystal structure of bis-pentaamminesodium tetraarsendiide-ammonia (1/3) [Na(NH3)(5)](2)As-4 center dot 3NH(3)
N Korber et al.
CHEMICAL COMMUNICATIONS (2002)
N-electron valence state perturbation theory:: a fast implementation of the strongly contracted variant
C Angeli et al.
CHEMICAL PHYSICS LETTERS (2001)
Introduction of n-electron valence states for multireference perturbation theory
C Angeli et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Modern aspects of the Jahn-Teller effect theory and applications to molecular problems
IB Bersuker
CHEMICAL REVIEWS (2001)
Photodissociation of ethylene sulfide at 193 nm: A photofragment translational spectroscopy study with VUV synchrotron radiation and ab initio calculations
F Qi et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Unusual structures of main group organometallic compounds containing m-terphenyl ligands
JAC Clyburne et al.
COORDINATION CHEMISTRY REVIEWS (2000)
Ab initio computations of effective exchange integrals for H-H, H-He-H and Mn2O2 complex:: comparison of broken-symmetry approaches
T Soda et al.
CHEMICAL PHYSICS LETTERS (2000)