NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 537 | 2020 |
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 187 | 2020 |
Importance of correctly describing charge-transfer excitations for understanding the chemical effect in SERS JE Moore, SM Morton, L Jensen The Journal of Physical Chemistry Letters 3 (17), 2470-2475, 2012 | 116 | 2012 |
A hybrid atomistic electrodynamics–quantum mechanical approach for simulating surface-enhanced Raman scattering JL Payton, SM Morton, JE Moore, L Jensen Accounts of Chemical Research 47 (1), 88-99, 2014 | 104 | 2014 |
Atomistic electrodynamics simulations of bare and ligand-coated nanoparticles in the quantum size regime X Chen, JE Moore, M Zekarias, L Jensen Nature communications 6 (1), 8921, 2015 | 91 | 2015 |
A discrete interaction model/quantum mechanical method for simulating surface-enhanced Raman spectroscopy JL Payton, SM Morton, JE Moore, L Jensen The Journal of chemical physics 136 (21), 2012 | 80 | 2012 |
Theory of linear and nonlinear surface-enhanced vibrational spectroscopies DV Chulhai, Z Hu, JE Moore, X Chen, L Jensen Annual review of physical chemistry 67, 541-564, 2016 | 60 | 2016 |
Influence of shape on the optical properties of hematite aerosol DP Veghte, JE Moore, L Jensen, MA Freedman Journal of Geophysical Research: Atmospheres 120 (14), 7025-7039, 2015 | 19 | 2015 |
Vázquez-Mayagoitia, P E Aprà, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... Verma, O. Villa, A. Vishnu, KD Vogiatzis, D. Wang, JH Weare, MJ Williamson …, 2020 | 12 | 2020 |
Orbital Renormalization Effects on the Coupling between Molecular Excitations and Plasmons JE Moore, L Jensen The Journal of Physical Chemistry C 120 (10), 5659-5666, 2016 | 7 | 2016 |
Bloc: A game-theoretic approach to orchestrate cps against cyber attacks M Guirguis, A Tahsini, K Siddique, C Novoa, J Moore, C Julien, ... 2018 IEEE Conference on Communications and Network Security (CNS), 1-9, 2018 | 6 | 2018 |
Project moveSMART: When Physical Education Meets Computational Thinking in Elementary Classrooms C Fritz, D Bray, G Lee, C Julien, S Burson, D Castelli, C Ramsey, J Payton computer 55 (11), 29-39, 2022 | 4 | 2022 |
Optical properties of mineral dust components and mixtures D Veghte, J Moore, L Jensen, M Freedman ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 249, 2015 | | 2015 |
Describing the electronic structure of molecules on metal surfaces JE Moore The Pennsylvania State University, 2015 | | 2015 |
Microscopy and Spectroscopy Techniques to Guide Parameters for Modeling Mineral Dust Aerosol Particles DP Veghte, JE Moore, L Jensen, MA Freedman AGU Fall Meeting Abstracts 2013, A41G-0145, 2013 | | 2013 |
Simulating surface-enhanced Raman scattering with a discrete interaction model/quantum mechanical method JE Moore, SM Morton, L Jensen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012 | | 2012 |
Describing the interaction between molecules and metal nanoparticles using electronic structure theory SM Morton, JE Moore, L Jensen ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011 | | 2011 |