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Gaenko, A.; DeFusco, A.; Varganov, S; Martínez, T.; Gordon M. S. Interfacing the Ab initio Multiple Spawning Method with Electronic Structure Methods in GAMESS: Photo-Decay of Trans-Azomethane J. Phys. Chem. A 2014, 118, 10902–10908. [DOI]
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DeFusco, A.; Minezawa, N.; Slipchenko, L. V.; Zahariev, F.; Gordon, M. S. Modeling Solvent Effects on Electronic Excited States. J. Phys. Chem. Lett. 2011, 2, 2184–2192. [DOI]
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DeFusco, A.; Ivanic, J.; Schmidt, M. W.; Gordon, M. S. Solvent-Induced Shifts in Electronic Spectra of Uracil. J. Phys. Chem. A 2011, 115, 4574–4582. [DOI]
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Arora, P.; Slipchenko, L. V.; Webb, S. P.; DeFusco, A.; Gordon, M. S. Solvent-Induced Frequency Shifts: Configuration Interaction Singles Combined with the Effective Fragment Potential Method. J. Phys. Chem. A 2010, 114, 6742–6750. [DOI]
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Sommerfeld, T.; DeFusco, A.; Jordan, K. D. Model Potential Approaches for Describing the Interaction of Excess Electrons with Water Clusters: Incorporation of Long-Range Correlation Effects. J. Phys. Chem. A 2008, 112, 11021–11035. [DOI] (cover art)
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DeFusco, A.; Sommerfeld, T.; Jordan, K. D. Parallel Tempering Monte Carlo Simulations of the Water Heptamer Anion. Chem. Phys. Lett. 2008, 455, 135–138. [DOI] (cover art)
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DeFusco, A.; Schofield, D. P.; Jordan, K. D. Comparison of Models with Distributed Polarizable Sites for Describing Water Clusters. Molecular Physics, 2007, 105, 2681–2696. [DOI]
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Sommerfeld, T.; Gardner, S. D.; DeFusco, A.; Jordan, K. D. Low-Lying Isomers and Finite Temperature Behavior of (H2O)6 -. J. Chem. Phys. 2006, 125, 174301. [DOI]
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Clarkson, J. R.; Dian, B. C.; Moriggi, L.; DeFusco, A.; McCarthy, V.; Jordan, K. D.; Zwier, T. S. Direct Measurement of the Energy Thresholds to Conformational Isomerization in Tryptamine: Experiment and Theory. J. Chem. Phys. 2005, 122. [DOI]