Search Results - "Nite, Jacob"

Electronic Structures of Cr(III) and V(II) Polypyridyl Systems: Undertones in an Isoelectronic Analogy by Joyce, Justin P, Portillo, Romeo I, Nite, Collette M, Nite, Jacob M, Nguyen, Michael P, Rappé, Anthony K, Shores, Matthew P

“…A recently reported description of the photophysical properties of V2+ polypyridyl systems has highlighted several distinctions between isoelectronic, d3,…”
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Prediction of Fluorophore Brightness in Designed Mini Fluorescence Activating Proteins by Hostetter, Emma R., Keyes, Jeffrey R., Poon, Ivy, Nguyen, Justin P., Nite, Jacob M., Jimenez Hoyos, Carlos A., Smith, Colin A.

“…The de novo computational design of proteins with predefined three-dimensional structure is becoming much more routine due to advancements both in force fields…”
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Characterizing Anharmonic Vibrational Modes of Quinones with Two-Dimensional Infrared Spectroscopy by Cyran, Jenée D, Nite, Jacob M, Krummel, Amber T

“…Two-dimensional infrared (2D IR) spectroscopy was used to study the vibrational modes of three quinonesbenzoquinone, naphthoquinone, and anthraquinone. The…”
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Active Bragg angle compensation for shaping ultrafast mid-infrared pulses by Nite, Jacob M, Cyran, Jenée D, Krummel, Amber T

“…Active Bragg angle compensation is demonstrated for shaping ultrafast, mid-infrared pulses. The effects of angular dispersion introduced by the acousto-optic…”
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Structure of a new form of silicon phosphate (SiP2O7) synthesized at high pressures and temperatures by Leinenweber, Kurt, Stearns, Linda A., Nite, Jacob M., Németh, Péter, Groy, Thomas L.

“…A new high-pressure phase of SiP2O7 has been found and its crystal structure solved and refined from a single crystal grown at a condition of 16GPa and 2000°C…”
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Low-Cost Molecular Excited States from a State-Averaged Resonating Hartree–Fock Approach by Nite, Jacob, Jiménez-Hoyos, Carlos A

“…Quantum chemistry methods that describe excited states on the same footing as the ground state are generally scarce. In previous work, ( Gill J. Phys. Chem. A,…”
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Spin Multiplets: Theory and Application by Nite, Jacob M

“…Transition metal complexes have seen an increased use as photocatalysts for organic reactions in recent literature, mostly involving the Ru(II)(bpy) 3 family…”
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Structure of a new form of silicon phosphate (SiP{sub 2}O{sub 7}) synthesized at high pressures and temperatures by Leinenweber, Kurt, Stearns, Linda A., Nite, Jacob M., Nemeth, Peter, Groy, Thomas L.

“…A new high-pressure phase of SiP{sub 2}O{sub 7} has been found and its crystal structure solved and refined from a single crystal grown at a condition of 16…”
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