화학공학소재연구정보센터
검색결과 : 20건
No. Article
1 Systematic Study of the Properties of CdS Clusters with Carboxylate Ligands Using a Deep Neural Network Potential Developed with Data from Density Functional Theory Calculations
Nguyen KA, Pachter R, Day PN
Journal of Physical Chemistry A, 124(50), 10472, 2020
2 Theoretical Prediction of Optical Absorption and Emission in Thiolated Gold Clusters
Day PN, Pachter R, Nguyen KA, Jin RC
Journal of Physical Chemistry A, 123(30), 6472, 2019
3 Theoretical Analysis of Optical Absorption and Emission in Mixed Noble Metal Nanoclusters
Day PN, Pachter R, Nguyen KA
Journal of Physical Chemistry A, 122(16), 4058, 2018
4 Systematic Study of Structure, Stability, and Electronic Absorption of Tetrahedral CdSe Clusters with Carboxylate and Amine Ligands
Nguyen KA, Pachter R, Jiang J, Day PN
Journal of Physical Chemistry A, 122(33), 6704, 2018
5 A Theoretical Investigation of the Structure and Optical Properties of a Silver Cluster in Solid Form and in Solution
Day PN, Pachter R, Nguyen KA
Journal of Physical Chemistry A, 121(1), 326, 2017
6 Calculations of One- and Two-Photon Absorption Spectra for Molecular Metal Chalcogenide Clusters with Electron-Acceptor Ligands
Nguyen KA, Pachter R, Day PN
Journal of Physical Chemistry A, 121(8), 1749, 2017
7 Linear and Nonlinear Optical Response in Silver Nanoclusters: Insight from a Computational Investigation
Day PN, Pachter R, Nguyen KA, Bigioni TP
Journal of Physical Chemistry A, 120(4), 507, 2016
8 One- and Two-Photon Spectra of Platinum Acetylide Chromophores: A TDDFT Study
Nguyen KA, Day PN, Pachter R
Journal of Physical Chemistry A, 113(50), 13943, 2009
9 Effects of conjugation in length and dimension on spectroscopic properties of fluorene-based chromophores from experiment and theory
Nguyen KA, Rogers JE, Slagle JE, Day PN, Kannan R, Tan LS, Fleitz PA, Pachter R
Journal of Physical Chemistry A, 110(49), 13172, 2006
10 TDDFT study of one- and two-photon absorption properties: Donor-pi-acceptor chromophores
Day PN, Nguyen KA, Pachter R
Journal of Physical Chemistry B, 109(5), 1803, 2005