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Journal of Chemical Theory and Computation
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May 27, 2017
Unification of the W1X and G4(MP2)-6X Composite Protocols
Bun Chan
The Journal of Physical Chemistry. A
|
July 25, 2022
High-Level Quantum Chemistry Reference Heats of Formation for a Large Set of C, H, N, and O Species in the NIST Chemistry Webbook and the Identification and Validation of Reliable Protocols for Their Rapid Computation
Bun Chan
Journal of Chemical Theory and Computation
|
July 14, 2018
Formulation of Small Test Sets Using Large Test Sets for Efficient Assessment of Quantum Chemistry Methods
Bun Chan
Journal of Chemical Theory and Computation
|
June 8, 2023
Optimal Small Basis Set and Geometric Counterpoise Correction for DFT Computations
Bun Chan
The Journal of Physical Chemistry. A
|
June 27, 2023
Compilation of Ionic Clusters with the Rock Salt Structure: Accurate Benchmark Thermochemical Data, Assessment of Quantum Chemistry Methods, and the Convergence Behavior of Lattice Energies
Bun Chan
The Journal of Physical Chemistry. A
|
May 5, 2026
Filling the Gap of the Heats of Formation for Organophosphorus Species in the NIST Chemistry WebBook with Reliable Quantum-Chemistry Computations
Bun Chan
The Journal of Physical Chemistry. A
|
October 31, 2024
The Paradox of Global Multireference Diagnostics
Bun Chan
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2021
Re-examining the electronic structure of fluorescent tetra-silver clusters in zeolites
Bun Chan
Journal of Chemical Theory and Computation
|
November 9, 2017
Use of Low-Cost Quantum Chemistry Procedures for Geometry Optimization and Vibrational Frequency Calculations: Determination of Frequency Scale Factors and Application to Reactions of Large Systems
Bun Chan
The Journal of Physical Chemistry. A
|
August 14, 2020
Fullerene Thermochemical Stability: Accurate Heats of Formation for Small Fullerenes, the Importance of Structural Deformation on Reactivity, and the Special Stability of C<sub>60</sub>
Bun Chan
Page
of 29
Search research articles
Search
Showing results (1-10 of 288) with videos related to
Sort By:
Page
of 29
Journal of Chemical Theory and Computation
|
May 27, 2017
Unification of the W1X and G4(MP2)-6X Composite Protocols
Bun Chan
The Journal of Physical Chemistry. A
|
July 25, 2022
High-Level Quantum Chemistry Reference Heats of Formation for a Large Set of C, H, N, and O Species in the NIST Chemistry Webbook and the Identification and Validation of Reliable Protocols for Their Rapid Computation
Bun Chan
Journal of Chemical Theory and Computation
|
July 14, 2018
Formulation of Small Test Sets Using Large Test Sets for Efficient Assessment of Quantum Chemistry Methods
Bun Chan
Journal of Chemical Theory and Computation
|
June 8, 2023
Optimal Small Basis Set and Geometric Counterpoise Correction for DFT Computations
Bun Chan
The Journal of Physical Chemistry. A
|
June 27, 2023
Compilation of Ionic Clusters with the Rock Salt Structure: Accurate Benchmark Thermochemical Data, Assessment of Quantum Chemistry Methods, and the Convergence Behavior of Lattice Energies
Bun Chan
The Journal of Physical Chemistry. A
|
May 5, 2026
Filling the Gap of the Heats of Formation for Organophosphorus Species in the NIST Chemistry WebBook with Reliable Quantum-Chemistry Computations
Bun Chan
The Journal of Physical Chemistry. A
|
October 31, 2024
The Paradox of Global Multireference Diagnostics
Bun Chan
Physical Chemistry Chemical Physics : PCCP
|
January 13, 2021
Re-examining the electronic structure of fluorescent tetra-silver clusters in zeolites
Bun Chan
Journal of Chemical Theory and Computation
|
November 9, 2017
Use of Low-Cost Quantum Chemistry Procedures for Geometry Optimization and Vibrational Frequency Calculations: Determination of Frequency Scale Factors and Application to Reactions of Large Systems
Bun Chan
The Journal of Physical Chemistry. A
|
August 14, 2020
Fullerene Thermochemical Stability: Accurate Heats of Formation for Small Fullerenes, the Importance of Structural Deformation on Reactivity, and the Special Stability of C<sub>60</sub>
Bun Chan
Page
of 29