| 1 |
Accurate prediction of bond dissociation energies of large n-alkanes using ONIOM-CCSD(T)/CBS methods
Wu JJ, Ning HB, Ma LH, Ren W
Chemical Physics Letters, 699, 139, 2018 |
| 2 |
Exploring conformational preferences of alanine tetrapeptide by CCSD(T), MP2, and dispersion-corrected DFT methods
Kang YK, Park HS
Chemical Physics Letters, 702, 69, 2018 |
| 3 |
Puckering transitions in cyclohexane: Revisited
Kang YK, Park HS
Chemical Physics Letters, 702, 82, 2018 |
| 4 |
Assessment of CCSD(T), MP2, and DFT methods for the calculations of structures and interaction energies of the peptide backbone with water molecules
Kang NS, Kang YK
Chemical Physics Letters, 687, 23, 2017 |
| 5 |
Theoretical in-Solution Conformational/Tautomeric Analyses for Chain Systems with Conjugated Double Bonds Involving Nitrogen(s)
Nagy PI
International Journal of Molecular Sciences, 16(5), 10767, 2015 |
| 6 |
Testing the performance of density functionals for the calculation of energetic properties of complex-forming radical-molecule reactions
Kosztyu R, Lendvay G
Reaction Kinetics and Catalysis Letters, 96(2), 233, 2009 |
