The PAH Emission Characteristics of the Reflection Nebula NGC 2023 von Peeters, Els, Bauschlicher, Charles W., Allamandola, Louis J., Tielens, Alexander G. G. M., Ricca, Alessandra, Wolfire, Mark G.

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The Infrared Spectra of Very Large, Compact, Highly Symmetric, Polycyclic Aromatic Hydrocarbons (PAHs) von Bauschlicher, Jr., Charles W, Peeters, Els, Allamandola, Louis J

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The NASA Ames PAH IR Spectroscopic Database: Computational Version 3.00 with Updated Content and the Introduction of Multiple Scaling Factors von Bauschlicher, Charles W., Ricca, A., Boersma, C., Allamandola, L. J.

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Thermochemistry of Gaseous Ytterbium and Gadolinium Hydroxides and Oxyhydroxides von Bauschlicher, Charles W, Jacobson, Nathan S

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Computational and Experimental Investigation of Li-Doped Ionic Liquid Electrolytes: [pyr14][TFSI], [pyr13][FSI], and [EMIM][BF4] von Haskins, Justin B, Bennett, William R, Wu, James J, Hernández, Dionne M, Borodin, Oleg, Monk, Joshua D, Bauschlicher, Charles W, Lawson, John W

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Decomposition of Ionic Liquids at Lithium Interfaces. 1. Ab Initio Molecular Dynamics Simulations von Yildirim, Handan, Haskins, Justin B, Bauschlicher, Charles W, Lawson, John W

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Li+-ligand binding energies and the effect of ligand fluorination on the binding energies von Bauschlicher, Charles W.

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THE INFRARED SPECTROSCOPY OF COMPACT POLYCYCLIC AROMATIC HYDROCARBONS CONTAINING UP TO 384 CARBONS von Ricca, Alessandra, BAUSCHLICHER, CHARLES W, Boersma, Christiaan, TIELENS, ALEXANDER G G M, ALLAMANDOLA, LOUIS J

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The reliability of the small-core Lanthanide effective core potentials von Bauschlicher, Charles W.

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Quantum chemical and experimental thermodynamic studies of HfO(g) von Bauschlicher, Charles W., Kowalski, Benjamin A., Jacobson, Nathan S.

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Thermochemistry of SinOx(OH)y Vapor Species from Quantum Chemical Calculations von Bauschlicher, Charles W, Jacobson, Nathan S, Fegley, Bruce

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The low-lying electronic states of SiO von Bauschlicher, Charles W.

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Computational Chemistry Derivation of Cr, Mn, and La Hydroxide and Oxyhydroxide Thermodynamics von Bauschlicher, Charles W, Jacobson, Nathan S, Myers, Dwight L, Opila, Elizabeth J

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Ab Initio Simulations and Electronic Structure of Lithium-Doped Ionic Liquids: Structure, Transport, and Electrochemical Stability von Haskins, Justin B, Bauschlicher, Charles W, Lawson, John W

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The low-lying electronic states of MgO von Bauschlicher, Charles W., Schwenke, David W.

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Reaction of Singlet Oxygen with the Ethylene Group: Implications for Electrolyte Stability in Li-Ion and Li‑O2 Batteries von Mullinax, J. Wayne, Bauschlicher, Charles W, Lawson, John W

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Modeling Singlet Oxygen-Induced Degradation Pathways Including Environmental Effects of 1,2-Dimethoxyethane in Li–O2 Batteries through Density Functional Theory von Mullinax, J. Wayne, Bauschlicher, Charles W., Lawson, John W.

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Polycyclic Aromatic Hydrocarbons with Straight Edges and the 7.6/6.2 and 8.6/6.2 Intensity Ratios in Reflection Nebulae von Ricca, Alessandra, Bauschlicher, Charles W., Roser, Joseph E., Peeters, Els

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Thermodynamics of high‐temperature aluminum, zirconium, and yttrium hydroxide and oxyhydroxide vapor species von Bauschlicher, Charles W., Bodenschatz, Cameron J., Myers, Dwight L., Jacobson, Nathan S.

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Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 1. Molecular Dynamics Simulations von Qi, Tingting, Bauschlicher, Charles W, Lawson, John W, Desai, Tapan G, Reed, Evan J

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