2023 Emilie B. Guidez; Quasi-atomic orbital analysis of sigma-hole interactions. Journal of Chemical Physics, 159, 194307
2023 Anh Tran, Emilie B. Guidez and Hai Lin. Adaptive-partitioning multilayer dynamics simulations: 2. Implementations of the permuted- and interpolated adaptive-partitioning gradients. Journal of Physical Chemistry A, 127, 10320-10333
2023 Xu, P ; Westheimer, B. M.; Schlinsog, M ; Sattasathuchana, T; Elliott, G; Gordon, M. S.; Guidez, E; The effective fragment potential: An ab initio force field. In Reference module in chemistry, molecular sciences and chemical engineering, Elsevier.
2023 Zahariev, Federico; Xu, Peng; Westheimer, Bryce; Webb, Simon; Galvez Vallejo, Jorge; Tiwari, Ananta; Sundryal, Vaibhav; Sosonkina, Masha; Schoendorff, George; Schlinsog, Megan; Sattasathuchana, Tosaporn; Ruedenberg, Klaus; Roskop, Luke; Rendell, Alistair; Poole, David; Piecuch, Piotr; Pham, Buu; Mironov, Vladimir; Mato, Joani; Leonard, Samuel; Leang, Sarom; Ivanic, Joseph; Hayes, Jackson; Harville, Taylor; Gururangan, Karthik; Guidez, Emilie; Gerasimov, Igor; Friedll, Christian; Ferreras, Katherine; Fedorov, Dmitri; Elliott, George; Datta, Dipayan; Cruz, Daniel; Carrington, Laura; Bertoni, Colleen; Barca, Giuseppe; Alkan, Melisa, Gordon, Mark; The general atomic and molecular electronic structure system (GAMESS): Novel methods and novel architectures, Journal of Chemical Theory and Computation, 19,7031-7055
2021 Panikkattu, V. V.; Tran, A.; Sinha, A. S.; Reinheimer, E. W.; Guidez, E.B.; Aakeröy, C. B.; Traversing the Tightrope between Halogen and Chalcogen Bonds Using Structural Chemistry and Theory. Crystal Growth and Design, 21, 7168-7178
2021 Xu, P.; Sattasathuchana, T.; Guidez, E.; Webb, S. P.; Montgomery, K.; Yasini, H.; Pedreira, I. F.; Gordon, M. S., Computation of Host–Guest Binding Free Energies with a New Quantum Mechanics Based Mining Minima Algorithm. The Journal of Chemical Physics, 154, 104122
2021 Mato, J.; Duster, A. W.; Guidez, E. B.; Lin, H., Adaptive-Partitioning Multilayer Dynamics Simulations: 1. On-the-Fly Switch between Two Quantum Levels of Theory. Journal of Chemical Theory and Computation, 17, 5456-5465
2020 Tran, A. L.; Guidez, E. B., Quantum Mechanical Modeling of the Interactions between Noble Metal (Ag and Au) Nanoclusters and Water with the Effective Fragment Potential Method. ACS omega, 5, 7446-7455
2020 Mato, J.; Guidez, E. B., Accuracy of the PM6 and PM7 Methods on Bare and Thiolate-Protected Gold Nanoclusters. The Journal of Physical Chemistry A, 124, 2601-2615
2020 Guidez, E. B.; Gordon, M. S.; Ruedenberg, K., Why Is Si2H2 Not Linear? An Intrinsic Quasi-Atomic Bonding Analysis. Journal of the American Chemical Society, 142, 13729-13742
2020 Barca, G. M.; Bertoni, C.; Carrington, L.; Datta, D.; De Silva, N.; Deustua, J. E.; Fedorov, D. G.; Gour, J. R.; Gunina, A. O.; Guidez, E. et al, Recent Developments in the General Atomic and Molecular Electronic Structure System. The Journal of chemical physics, 152, 154102
2018 Xu, P.; Guidez, E. B.; Bertoni, C.; Gordon, M. S., Perspective: Ab Initio Force Field Methods Derived from Quantum Mechanics. The Journal of Chemical Physics, 148, 090901
2018 Senanayake, R. D.; Guidez, E. B.; Neukirch, A. J.; Prezhdo, O. V.; Aikens, C. M., Theoretical Investigation of Relaxation Dynamics in Au38(SH)24 Thiolate-Protected Gold Nanoclusters. The Journal of Physical Chemistry C, 122, 16380-16388
2018 Schoeberle, L.; Guidez, E. B.; Gordon, M. S., Benchmarking of the R–7 Anisotropic Dispersion Energy Term on the S22 Dimer Test Set. The Journal of Physical Chemistry A, 122, 6100-6108
2018 Kim, S.; Kaliszewski, C. M.; Guidez, E. B.; Gordon, M. S., Benchmarking the Effective Fragment Potential Dispersion Correction on the S22 Test Set. The Journal of Physical Chemistry A, 122, 4076-4084
2017 Weerawardene, K. D. M.; Guidez, E. B.; Aikens, C. M., Photoluminescence Origin of Au38(SR)24 and Au22(SR)18 Nanoparticles: A Theoretical Perspective. The Journal of Physical Chemistry C, 121, 15416-15423
2017 Guidez, E. B.; Gordon, M. S., Dispersion Interactions in Water Clusters. The Journal of Physical Chemistry A, 121, 3736-3745
2016 Guidez, E. B.; Gordon, M. S., Derivation and Implementation of the Gradient of the R–7 Dispersion Interaction in the Effective Fragment Potential Method. The Journal of Physical Chemistry A, 120, 639-647
2015 Luo, H.; Tuinenga, C.; Guidez, E. B.; Lewis, C.; Shipman, J.; Roy, S.; Aikens, C. M.; Chikan, V., Synthesis and Characterization of Gallium-Doped CdSe Quantum Dots. The Journal of Physical Chemistry C, 119, 10749-10757
2015 Guidez, E. B.; Gordon, M. S., Dispersion Correction Derived from First Principles for Density Functional Theory and Hartree–Fock Theory. The Journal of Physical Chemistry A, 119, 2161-2168
2015 Guidez, E. B.; Aikens, C. M., Time-Dependent Density Functional Theory Study of the Luminescence Properties of Gold Phosphine Thiolate Complexes. The Journal of Physical Chemistry A, 119, 3337-3347
2014 Plasmon Resonance Analysis with Configuration Interaction. Physical Chemistry Chemical Physics, 16, 15501-15509
2014 Guidez, E. B.; Aikens, C. M., Quantum Mechanical Origin of the Plasmon: From Molecular Systems to Nanoparticles. Nanoscale, 6, 11512-11527
2014 Ding, F.; Guidez, E. B.; Aikens, C. M.; Li, X., Quantum Coherent Plasmon in Silver Nanowires: A Real-Time TDDFT Study. The Journal of chemical physics, 140, 244705
2013 Guidez, E. B.; Aikens, C. M., Origin and TDDFT Benchmarking of the Plasmon Resonance in Acenes. The Journal of Physical Chemistry C, 117, 21466-21475
2013 Guidez, E. B.; Aikens, C. M., Diameter Dependence of the Excitation Spectra of Silver and Gold Nanorods. The Journal of Physical Chemistry C, 117, 12325-12336
2012 Guidez, E. B.; Mäkinen, V.; Häkkinen, H.; Aikens, C. M., Effects of Silver Doping on the Geometric and Electronic Structure and Optical Absorption Spectra of the Au25NAgN(SH)18–(N= 1, 2, 4, 6, 8, 10, 12) Bimetallic Nanoclusters. The Journal of Physical Chemistry C, 116, 20617-20624
2012 Guidez, E. B.; Aikens, C. M., Development of a Charge-Perturbed Particle-in-a-Sphere Model for Nanoparticle Electronic Structure. Physical Chemistry Chemical Physics, 14, 4287-4295
2012 Guidez, E. B.; Aikens, C. M., Theoretical Analysis of the Optical Excitation Spectra of Silver and Gold Nanowires. Nanoscale, 4, 4190-4198
2011 Guidez, E. B.; Hadley, A.; Aikens, C. M., Initial Growth Mechanisms of Gold-Phosphine Clusters. The Journal of Physical Chemistry C, 115, 6305-6316