Related references
Note: Only part of the references are listed.Evidence for Borylene Carbonyl (LHB=C=O) and Base-Stabilized (LHB=O) and Base-Free Oxoborane (RBO) Intermediates in the Reactions of Diborenes with CO2
Andreas Stoy et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2022)
Theoretical insights into photo-induced isomerization mechanisms of phenylsulfinyl radical PhSO•
Meng-Kai Liu et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2022)
Photochemistry of 1-Phenyl-1-diazopropane and Its Diazirine Isomer: A CASSCF and MS-CASPT2 Study
Juan Soto
JOURNAL OF PHYSICAL CHEMISTRY A (2022)
Can a Wanzlick-like equilibrium exist between dicoordinate borylenes and diborenes?
Felipe Fantuzzi et al.
CHEMICAL SCIENCE (2022)
Germaborenes: Borylene Transfer Agents for the Synthesis of Iminoboranes
Dominik Raiser et al.
CHEMISTRY-A EUROPEAN JOURNAL (2021)
Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds
Huaiyu Zhang et al.
CHEMISTRY-A EUROPEAN JOURNAL (2020)
Insights into the Photoinduced Isomerization Mechanisms of a N,C-Chelate Organoboron Compound: A Theoretical Study
Hong-Yang Zhu et al.
CHEMPHYSCHEM (2020)
Insights into the Thermal and Photochemical Reaction Mechanisms of Azidoacetonitrile. Spectroscopic and MS-CASPT2 Calculations
Manuel Algarra et al.
CHEMPHYSCHEM (2020)
Stable Carbenes, Nitrenes, Phosphinidenes, and Borylenes: Past and Future
Michele Soleilhayoup et al.
CHEM (2020)
Theoretical study on the photochemistry of furoylazides: Curtius rearrangement and subsequent reactions
Jian Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
The use of main-group elements to mimic catalytic behavior of transition metals I: reduction of dinitrogen to ammonia catalyzed by bis(Lewis base)borylenium diradicals
Yu Wang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
Hydrogen bond, ring tension and π-conjugation effects: methyl and vinyl substitutions dramatically change the photodynamics of Criegee intermediates
Yazhen Li et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2020)
The reductive coupling of dinitrogen
Marc-Andre Legare et al.
SCIENCE (2019)
Carbenes and Nitrenes: Recent Developments in Fundamental Chemistry
Curt Wentrup
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2018)
Release of Isonitrile- and NHC-Stabilized Borylenes from Group VI Terminal Borylene Complexes
Marco Nutz et al.
CHEMISTRY-A EUROPEAN JOURNAL (2018)
Photoinduced Curtius rearrangements of fluorocarbonyl azide, FC(O)N-3: a QM/MM nonadiabatic dynamics simulation
Bin-Bin Xie et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)
Nitrogen fixation and reduction at boron
Marc-Andre Legare et al.
SCIENCE (2018)
Multireference Approaches for Excited States of Molecules
Hans Lischka et al.
CHEMICAL REVIEWS (2018)
Photoreactions of Phenylborylene with Dinitrogen and Carbon Monoxide
Klara Edel et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Theoretical insights into photo-induced Curtius rearrangement of chlorodifluoroacetyl azide
Xing-Liang Peng et al.
ORGANIC CHEMISTRY FRONTIERS (2017)
Borylenes: An Emerging Class of Compounds
Michele Soleilhavoup et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Francesco Aquilante et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2016)
Electronically Excited States of Borylenes
Malgorzata Krasowska et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Assessment of Approximate Coupled-Cluster and Algebraic-Diagrammatic-Construction Methods for Ground- and Excited-State Reaction Paths and the Conical-Intersection Seam of a Retinal-Chromophore Model
Deniz Tuna et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Quantum Monte Carlo Treatment of the Charge Transfer and Diradical Electronic Character in a Retinal Chromophore Minimal Model
Andrea Zen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Computational Study of van der Waals Complexes between Borylenes and Hydrocarbons
Malgorzata Krasowska et al.
CHEMISTRY-A EUROPEAN JOURNAL (2014)
The calculations of excited-state properties with Time-Dependent Density Functional Theory
Carlo Adamo et al.
CHEMICAL SOCIETY REVIEWS (2013)
Photochemistry and photophysics of the amino and imino tautomers of 1-methylcytosine: tautomerisation as a side product of the radiationless decay
Quansong Li et al.
PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES (2013)
Progress and Challenges in the Calculation of Electronic Excited States
Leticia Gonzalez et al.
CHEMPHYSCHEM (2012)
Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model
Samer Gozem et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Reactivity of Borylenes toward Ethyne, Ethene, and Methane
Malgorzata Krasowska et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Synthesis and Characterization of a Neutral Tricoordinate Organoboron Isoelectronic with Amines
Rei Kinjo et al.
SCIENCE (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Planar, twisted, and trans-bent: Conformational flexibility of neutral diborenes
Yuzhong Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
A stable neutral diborene containing a B=B double bond
Yuzhong Wang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Dinitrogen extrusion from diazidophenylborane:: Computational analysis of PhBNx (x=6,4,2) isomers
Holger F. Bettinger
JOURNAL OF ORGANOMETALLIC CHEMISTRY (2006)
Phenylborylene: Direct spectroscopic characterization in inert gas matrices
HF Bettinger
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Molecular structure and cluster formation of a tert-butylborylene complex
Holger Braunschweig et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
G Ghigo et al.
CHEMICAL PHYSICS LETTERS (2004)
MOLCAS:: a program package for computational chemistry
G Karlström et al.
COMPUTATIONAL MATERIALS SCIENCE (2003)
Carbene formation in its lower singlet state from photoexcited 3H-diazirine or diazomethane.: A combined CASPT2 and ab initio direct dynamics trajectory study
JF Arenas et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)
Share Paper
