相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。Tetraorganylargentate(III) Complexes: Key Intermediates in Silver-Mediated Cross-Coupling Reactions
Marius Deuker et al.
ORGANOMETALLICS (2021)
C(sp2)-CF3 Reductive Elimination from Well-Defined Argentate(III) Complexes [nBu4N][Ag(Ar)(CF3)3]
Zehai Lu et al.
ORGANOMETALLICS (2021)
M-C Bond Homolysis in Coinage - Metal [M(CF3)4]- Derivatives (vol 57, pg 2598, 2019)
M. Baya et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2020)
C(sp3)-CF3 Reductive Elimination from a Five -Coordinate Neutral Copper(III) Complex
Shuanshuan Liu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Modern quantum chemistry with [Open]Molcas
Francesco Aquilante et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Lipshutz-type bis(amido)argentates for directed ortho argentation
Noriyuki Tezuka et al.
CHEMICAL SCIENCE (2020)
Csp3-Csp3 Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes
Matthew Paeth et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
M-C Bond Homolysis in Coinage- Metal [ M( CF3) 4] @ Derivatives
Miguel Baya et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2019)
AUTOCAS: A Program for Fully Automated Multiconfigurational Calculations
Christopher J. Stein et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2019)
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galvan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
Argentate(I) and (III) complexes as intermediates in silver-mediated cross-coupling reactions
Sebastian Weske et al.
CHEMICAL COMMUNICATIONS (2018)
Stepwise versus Concerted Reductive Elimination Mechanisms in the Carbon-Iodide Bond Formation of (DPEphos)RhMeI2 Complex
Jing-Lu Yu et al.
ORGANOMETALLICS (2018)
Silver(I)-Catalyzed C-X, C-C, C-N, and C-O Cross-Couplings Using Aminoquinoline Directing Group via Elusive Aryl-Ag(III) Species
Lorena Capdevila et al.
ACS CATALYSIS (2018)
DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions
Akhilesh K. Sharma et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Measuring multi-configurational character by orbital entanglement
Christopher J. Stein et al.
MOLECULAR PHYSICS (2017)
The IPEA dilemma in CASPT2
J. Patrick Zobel et al.
CHEMICAL SCIENCE (2017)
Automated Identification of Relevant Frontier Orbitals for Chemical Compounds and Processes
Christopher J. Stein et al.
CHIMIA (2017)
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation
Stefan Knecht et al.
CHIMIA (2016)
Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms
Garnet Kin-Lic Chan et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Spin-adapted matrix product states and operators
Sebastian Keller et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Christoph Riplinger et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
The Delicate Balance of Static and Dynamic Electron Correlation
Christopher J. Stein et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Automated Selection of Active Orbital Spaces
Christopher J. Stein et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Tensor product methods and entanglement optimization for ab initio quantum chemistry
Szilard Szalay et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
An efficient matrix product operator representation of the quantum chemical Hamiltonian
Sebastian Keller et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Density Matrix Renormalization Group for ab initio Calculations and Associated Dynamic Correlation Methods: A Review of Theory and Applications
Takeshi Yanai et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)
The density matrix renormalization group for ab initio quantum chemistry
Sebastian Wouters et al.
EUROPEAN PHYSICAL JOURNAL D (2014)
Direct observation of two-electron Ag(I)/Ag(III) redox cycles in coupling catalysis
Marc Font et al.
NATURE COMMUNICATIONS (2014)
Natural triple excitations in local coupled cluster calculations with pair natural orbitals
Christoph Riplinger et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
An efficient and near linear scaling pair natural orbital based local coupled cluster method
Christoph Riplinger et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
The role of organometallic copper(III) complexes in homogeneous catalysis
Alicia Casitas et al.
CHEMICAL SCIENCE (2013)
Mechanisms of Nucleophilic Organocopper(I) Reactions
Naohiko Yoshikai et al.
CHEMICAL REVIEWS (2012)
Theoretical Approaches To Estimating Homolytic Bond Dissociation Energies of Organocopper and Organosilver Compounds
Nicole J. Rijs et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Tetraalkylcuprates(III): Formation, Association, and Intrinsic Reactivity
Aliaksei Putau et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
Gas-Phase Reactivity of Group 11 Dimethylmetallates with Allyl Iodide
Nicole J. Rijs et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)
High-valent organometallic copper and palladium in catalysis
Amanda J. Hickman et al.
NATURE (2012)
The density-matrix renormalization group in the age of matrix product states
Ulrich Schollwoeck
ANNALS OF PHYSICS (2011)
The Density Matrix Renormalization Group in Quantum Chemistry
Garnet Kin-Lic Chan et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 62 (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
Dimethylcuprate Undergoes a Dyotropic Rearrangement
Nicole J. Rijs et al.
CHEMISTRY-A EUROPEAN JOURNAL (2010)
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)
Unimolecular Reactions of Organocuprates and Organoargentates
Nicole J. Rijs et al.
ORGANOMETALLICS (2010)
The Density Matrix Renormalization Group Algorithm in Quantum Chemistry
Konrad Heinrich Marti et al.
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS (2010)
Ag-mediated reactions: Coupling and heterocyclization reactions
Jean-Marc Weibel et al.
CHEMICAL REVIEWS (2008)
On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes
Nuria Queralt et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2008)
Statistical Rate Theory and Kinetic Energy-Resolved Ion Chemistry: Theory and Applications
P. B. Armentrout et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Preparation of σ- and π-allylicopper(III) intermediates in SN2 and SN2′ reactions of organocuprate(I) reagents with allylic substrates
Erika R. Bartholomew et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Origin of the regio- and stereoselectivity of allylic substitution of organocopper reagents
Naohiko Yoshikai et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Mechanism and regioselectivity of reductive elimination of π-allylcopper (III) intermediates
M Yamanaka et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
Bond dissociation energies of organic molecules
SJ Blanksby et al.
ACCOUNTS OF CHEMICAL RESEARCH (2003)
Bond dissociation energies and radical stabilization energies associated with substituted methyl radicals
DJ Henry et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
分享论文
