화학공학소재연구정보센터
검색결과 : 8건
No. Article
1 Accuracy of the PM6 and PM7 Methods on Bare and Thiolate-Protected Gold Nanoclusters
Mato J, Guidez EB
Journal of Physical Chemistry A, 124(13), 2601, 2020
2 Why is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis
Guidez EB, Gordon MS, Ruedenberg K
Journal of the American Chemical Society, 142(32), 13729, 2020
3 Benchmarking of the R-7 Anisotropic Dispersion Energy Term on the S22 Dimer Test Set
Schoeberle L, Guidez EB, Gordon MS
Journal of Physical Chemistry A, 122(29), 6100, 2018
4 Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test Set
Kim S, Kaliszewski CM, Guidez EB, Gordon MS
Journal of Physical Chemistry A, 122(16), 4076, 2018
5 Dispersion Interactions in Water Clusters
Guidez EB, Gordon MS
Journal of Physical Chemistry A, 121(19), 3736, 2017
6 Derivation and Implementation of the Gradient of the R-7 Dispersion Interaction in the Effective Fragment Potential Method
Guidez EB, Xu P, Gordon MS
Journal of Physical Chemistry A, 120(4), 639, 2016
7 Time-Dependent Density Functional Theory Study of the Luminescence Properties of Gold Phosphine Thiolate Complexes
Guidez EB, Aikens CM
Journal of Physical Chemistry A, 119(14), 3337, 2015
8 Dispersion Correction Derived from First Principles for Density Functional Theory and Hartree-Fock Theory
Guidez EB, Gordon MS
Journal of Physical Chemistry A, 119(10), 2161, 2015