4.2 Article

Dissecting the bond-formation process of d10-metal-ethene complexes with multireference approaches

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

Nickel-Triad Complexes of a Side-on Coordinating Distannene

Christian P. Sindlinger et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)

Article Chemistry, Physical

A quantum informational approach for dissecting chemical reactions

Corinne Duperrouzel et al.

CHEMICAL PHYSICS LETTERS (2015)

Review Chemistry, Physical

Tensor product methods and entanglement optimization for ab initio quantum chemistry

Szilard Szalay et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)

Article Chemistry, Physical

Tree Tensor Network State with Variable Tensor Order: An Efficient Multireference Method for Strongly Correlated Systems

V. Murg et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)

Article Chemistry, Physical

Correction: Orbital entanglement and CASSCF analysis of the Ru–NO bond in a Ruthenium nitrosyl complex

Leon Freitag et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Singlet ground state actinide chemistry with geminals

Pawel Tecmer et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Orbital entanglement in quantum chemistry

Katharina Boguslawski et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)

Article Chemistry, Multidisciplinary

New Concepts for Designing d10-M(L)n Catalysts: d Regime, s Regime and Intrinsic Bite-Angle Flexibility

Lando P. Wolters et al.

CHEMISTRY-A EUROPEAN JOURNAL (2014)

Article Chemistry, Physical

Unravelling the quantum-entanglement effect of noble gas coordination on the spin ground state of CUO

Pawel Tecmer et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

Quantum entanglement in carbon-carbon, carbon-phosphorus and silicon-silicon bonds

Matthieu Mottet et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)

Article Materials Science, Multidisciplinary

Investigation of metal-insulator-like transition through the ab initio density matrix renormalization group approach

E. Fertitta et al.

PHYSICAL REVIEW B (2014)

Article Chemistry, Multidisciplinary

The Dalton quantum chemistry program system

Kestutis Aidas et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)

Article Chemistry, Physical

Orbital Entanglement in Bond-Formation Processes

Katharina Boguslawski et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Chemistry, Multidisciplinary

Nonlinear d10-ML2 Transition-Metal Complexes

Lando P. Wolters et al.

CHEMISTRYOPEN (2013)

Article Chemistry, Physical

Entanglement Measures for Single- and Multireference Correlation Effects

Katharina Boguslawski et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)

Article Chemistry, Multidisciplinary

Nickel-Catalyzed Intermolecular [2+2] Cycloaddition of Conjugated Enynes with Alkenes

Akira Nishimura et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Review Chemistry, Multidisciplinary

Molpro: a general-purpose quantum chemistry program package

Hans-Joachim Werner et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Review Chemistry, Multidisciplinary

Energy decomposition analysis

Moritz von Hopffgarten et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Review Physics, Multidisciplinary

Coupled-cluster theory in quantum chemistry

Rodney J. Bartlett et al.

REVIEWS OF MODERN PHYSICS (2007)

Article Chemistry, Physical

Measuring orbital interaction using quantum information theory

J Rissler et al.

CHEMICAL PHYSICS (2006)

Article Physics, Multidisciplinary

Two-site entropy and quantum phase transitions in low-dimensional models

Ö Legeza et al.

PHYSICAL REVIEW LETTERS (2006)

Article Chemistry, Physical

New relativistic ANO basis sets for transition metal atoms

BO Roos et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2005)

Article Chemistry, Physical

Main group atoms and dimers studied with a new relativistic ANO basis set

BO Roos et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2004)

Review Chemistry, Multidisciplinary

Synthesis of heterocycles via palladium π-olefin and π-alkyne chemistry

G Zeni et al.

CHEMICAL REVIEWS (2004)

Article Chemistry, Multidisciplinary

Optimized slater-type basis sets for the elements 1-118

E Van Lenthe et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)

Article Materials Science, Multidisciplinary

Optimizing the density-matrix renormalization group method using quantum information entropy

O Legeza et al.

PHYSICAL REVIEW B (2003)

Review Chemistry, Multidisciplinary

Chemistry with ADF

G te Velde et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)

Review Chemistry, Multidisciplinary

Modeling metal-catalyzed olefin polymerization

AT Rappé et al.

CHEMICAL REVIEWS (2000)

Review Chemistry, Multidisciplinary

Theoretical studies in palladium and platinum molecular chemistry

A Dedieu

CHEMICAL REVIEWS (2000)