4.7 Article

Force field of para- and metabenzyne diradicals: A multireference coupled-cluster study

Related references

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

Energetics of naphthynes - Performance of reduced multi-reference coupled-cluster methods for diradicals1

Xiangzhu Li et al.

CANADIAN JOURNAL OF CHEMISTRY (2009)

Article Chemistry, Physical

Energetics of 1,n-Didehydro-polyene Diradicals and Performance of Reduced Multireference Coupled-Cluster Method

Xiangzhu Li et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)

Article Chemistry, Physical

Computation of molecular vibrational frequencies using anomalous harmoniclike potentials

Xiangzhu Li et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Coupled-cluster approach to spontaneous symmetry breaking in molecules:: The linear N3 radical

Xiangzhu Li et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)

Review Chemistry, Physical

Full potential energy curve for N2 by the reduced multireference coupled-cluster method

Xiangzhu Li et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

Electronic structure of organic diradicals: Evaluation of the performance of coupled-cluster methods

Xiangzhu Li et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Multireference state-specific Mukherjee's coupled cluster method with noniterative triexcitations

Kiran Bhaskaran-Nair et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Multidisciplinary

REDUCED MULTIREFERENCE COUPLED-CLUSTER METHOD AND ITS APPLICATION TO THE PYRIDYNE DIRADICALS

Xiangzhu Li et al.

JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY (2008)

Review Chemistry, Physical

Coupling term derivation and general implementation of state-specific multireference coupled cluster theories

Francesco A. Evangelista et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

Real or artifactual symmetry breaking in the BNB radical: A multireference coupled cluster viewpoint

Xiangzhu Li et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Review Physics, Multidisciplinary

Coupled-cluster theory in quantum chemistry

Rodney J. Bartlett et al.

REVIEWS OF MODERN PHYSICS (2007)

Review Chemistry, Physical

High-order excitations in state-universal and state-specific multireference coupled cluster theories: Model systems

Francesco A. Evangelista et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

Multi-reference Brillouin-Wigner coupled-cluster method with a general model space

J Pittner et al.

MOLECULAR PHYSICS (2005)

Article Chemistry, Physical

The structures of m-benzyne and tetrafluoro-m-benzyne -: art. no. 174309

CE Smith et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Physical

Extensive generalization of renormalized coupled-cluster methods

K Kowalski et al.

JOURNAL OF CHEMICAL PHYSICS (2005)

Article Chemistry, Multidisciplinary

Vibrational spectrum of m-benzyne:: A matrix isolation and computational study

W Sander et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)

Review Chemistry, Physical

Problematic p-benzyne:: Orbital instabilities, biradical character, and broken symmetry

TD Crawford et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

Reduced multireference coupled cluster method:: Ro-vibrational spectra of N2

XZ Li et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Review Chemistry, Physical

Development of a linear response theory based on a state-specific multireference coupled cluster formalism

S Chattopadhyay et al.

JOURNAL OF CHEMICAL PHYSICS (2000)