Bun Chan

发表

Correlation functional in screened‐exchange density functional theory procedures

Bun Chan, Yukio Kawashima, Kimihiko Hirao, 2017, J. Comput. Chem..

Accurate Computation of Cohesive Energies for Small to Medium-Sized Gold Clusters.

Bun Chan, Wai-Leung Yim, W. Yim, 2013, Journal of chemical theory and computation.

Barriometry - an enhanced database of accurate barrier heights for gas-phase reactions.

Bun Chan, John M Simmie, J. Simmie, 2018, Physical chemistry chemical physics : PCCP.

Performance of the OP correlation functional in relation to its formulation: Influence of the exchange component and the effect of incorporating same‐spin correlations

Bun Chan, Yukio Kawashima, Kimihiko Hirao, 2016, J. Comput. Chem..

The reHISS Three‐Range Exchange Functional with an Optimal Variation of Hartree–Fock and Its Use in the reHISSB‐D Density Functional Theory Method

Bun Chan, Yukio Kawashima, Kimihiko Hirao, 2018, J. Comput. Chem..

On the inclusion of post‐MP2 contributions to double‐Hybrid density functionals

Bun Chan, Lars Goerigk, Leo Radom, 2016, J. Comput. Chem..

W1X-1 and W1X-2: W1-Quality Accuracy with an Order of Magnitude Reduction in Computational Cost.

Bun Chan, Leo Radom, L. Radom, 2012, Journal of chemical theory and computation.

An ONIOM investigation of the effect of conformation on bond dissociation energies in peptides

Bun Chan, Leo Radom, L. Radom, 2018, J. Comput. Chem..

Toward the complete range separation of non‐hybrid exchange–correlation functional

Bun Chan, Yukio Kawashima, Kimihiko Hirao, 2015, J. Comput. Chem..

Excitation energies expressed as orbital energies of Kohn–Sham density functional theory with long‐range corrected functionals

Bun Chan, Kimihiko Hirao, Jong-Won Song, 2020, J. Comput. Chem..

Unification of the W1X and G4(MP2)-6X Composite Protocols.

Bun Chan, B. Chan, 2017, Journal of chemical theory and computation.

W2X and W3X-L: Cost-Effective Approximations to W2 and W4 with kJ mol(-1) Accuracy.

Bun Chan, Leo Radom, L. Radom, 2015, Journal of chemical theory and computation.

Evaluation of the heats of formation of corannulene and C60 by means of high-level theoretical procedures.

Bun Chan, Amir Karton, Krishnan Raghavachari, 2013, The journal of physical chemistry. A.