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.

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

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

Volltext

The Infrared Spectra of Very Large Irregular Polycyclic Aromatic Hydrocarbons (PAHs): Observational Probes of Astronomical PAH Geometry, Size, and Charge von Bauschlicher, Charles W, Peeters, Els, Allamandola, Louis J

Volltext

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.

Volltext

Variations in the Peak Position of the 6.2 μm Interstellar Emission Feature: A Tracer of N in the Interstellar Polycyclic Aromatic Hydrocarbon Population von Hudgins, Douglas M, Bauschlicher, Jr., Charles W, Allamandola, L. J

Volltext

Decomposition of Ionic Liquids at Lithium Interfaces. 2. Gas Phase Computations von Haskins, Justin B, Yildirim, Handan, Bauschlicher, Charles W, Lawson, John W

Volltext

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

Volltext

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

Volltext

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

Volltext

Molecular dynamics simulations of phenolic resin: Construction of atomistic models von Monk, Joshua D., Haskins, Justin B., Bauschlicher, Charles W., Lawson, John W.

Volltext

Computational and Experimental Study of Phenolic Resins: Thermal–Mechanical Properties and the Role of Hydrogen Bonding von Monk, Joshua D, Bucholz, Eric W, Boghozian, Tane, Deshpande, Shantanu, Schieber, Jay, Bauschlicher, Charles W, Lawson, John W

Volltext

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

Volltext

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

Volltext