Paul N. Day

Wright-Patterson Air Force Base — United States

Chemistry · Physical Sciences

29h-index2.7kcitations92works0.02yr avg
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Research Topics

Photochemistry and Electron Transfer Studies(25), Nonlinear Optical Materials Studies(25), Porphyrin and Phthalocyanine Chemistry(17), Advanced Chemical Physics Studies(13), Nanocluster Synthesis and Applications(13)

Publications92 total

Electronic Structures and Spectra of Donor–Acceptor Conjugated Oligomers
The Journal of Physical Chemistry A·2024
Chirality-Induced Spin Selectivity: Analysis of Density Functional Theory Calculations
Journal of Chemical Theory and Computation·2024
Theoretical Investigation of the Electronic Spectra of Cadmium Chalcogenide 2D Nanoplatelets
The Journal of Physical Chemistry A·2022· 1 cited
Calculated linear and nonlinear optical absorption spectra of phosphine-ligated gold clusters
Physical Chemistry Chemical Physics·2022· 4 cited
Theoretical analysis of structures and electronic spectra of molecular colloidal cadmium sulfide clusters and nanoplatelets
The Journal of Chemical Physics·2021· 6 cited
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
The Journal of Physical Chemistry A·2020· 13 cited
Computational design of two-photon active organic molecules for infrared responsive materials
Journal of Materials Chemistry C·2020· 8 cited
Theoretical Prediction of Optical Absorption and Emission in Thiolated Gold Clusters
The Journal of Physical Chemistry A·2019· 13 cited
Systematic Study of Structure, Stability, and Electronic Absorption of Tetrahedral CdSe Clusters with Carboxylate and Amine Ligands
The Journal of Physical Chemistry A·2018· 21 cited
Theoretical Analysis of Optical Absorption and Emission in Mixed Noble Metal Nanoclusters
The Journal of Physical Chemistry A·2018· 6 cited
Calculations of One- and Two-Photon Absorption Spectra for Molecular Metal Chalcogenide Clusters with Electron-Acceptor Ligands
The Journal of Physical Chemistry A·2017· 5 cited
A Theoretical Investigation of the Structure and Optical Properties of a Silver Cluster in Solid Form and in Solution
The Journal of Physical Chemistry A·2016· 8 cited
Linear and Nonlinear Optical Response in Silver Nanoclusters: Insight from a Computational Investigation
The Journal of Physical Chemistry A·2016· 33 cited
Theoretical analysis of structures and electronic spectra in molecular cadmium chalcogenide clusters
The Journal of Chemical Physics·2015· 21 citedOpen Access
Optical Response of Hybrid Plasmon–Exciton Nanomaterials in the Presence of Overlapping Resonances
ACS Photonics·2015· 13 cited
Linear and nonlinear optics of hybrid plasmon-exciton nanomaterials in the presence of overlapping resonances
arXiv (Cornell University)·2015Open Access
Density functional Theory Based Generalized Effective Fragment Potential Method (Postprint)
2014
Density functional theory based generalized effective fragment potential method
The Journal of Chemical Physics·2014· 5 cited
Analysis of nonlinear optical properties in donor–acceptor materials
The Journal of Chemical Physics·2014· 45 cited
Computational Prediction of Structures and Optical Excitations for Nanoscale Ultrasmall ZnS and CdSe Clusters
Journal of Chemical Theory and Computation·2013· 63 cited
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Frequent Co-authors

Ruth Pachter(35), Kiet A. Nguyen(26), Robert J. P. Williams(4), Donald G. Truhlar(4), N. Sanders(3), Jan H. Jensen(2), Mark S. Gordon(2), Walter J. Stevens(2), David R. Garmer(2), Harold Basch(2), Drora Cohen(2), Mark S. Gordon(2), Zhiqiang Wang(2), Zhiqiang Wang(2), D. W. Smith(2), Simon P. Webb(1), Morris Krauss(1), Grant N. Merrill(1), Sergei Tretiak(1), Vladimir Chernyak(1)