Search Results - "Gallup, G. A"

Vibrational Feshbach resonances in uracil and thymine by Burrow, P D, Gallup, G A, Scheer, A M, Denifl, S, Ptasinska, S, Märk, T, Scheier, P

“…Sharp peaks in the dissociative electron attachment (DEA) cross sections of uracil and thymine at energies below 3 eV are assigned to vibrational Feshbach…”
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Bond breaking and temporary anion states in uracil and halouracils: implications for the DNA bases by Scheer, A M, Aflatooni, K, Gallup, G A, Burrow, P D

“…Low energy electrons are capable of breaking bonds in gas phase DNA bases by means of the dissociative electron attachment process. With the aid of new total…”
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Temporary Anion States of Three Herbicide Families by Scheer, A. M, Aflatooni, K, Gallup, G. A, Burrow, P. D

“…Electron scattering studies are used to locate the energies of temporary negative ion states of three chloro-substituted molecular families of herbicidal…”
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Comment on 'Dynamics of formation of anthracene anions in molecular clouds and protoplanetary atmospheres' by Burrow, P D, Gallup, G A

“…The shape resonances computed in the title paper are shown to be approximately 1.8 eV too high…”
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Total dissociative electron attachment cross sections of selected amino acids by Scheer, A M, Mozejko, P, Gallup, G A, Burrow, P D

“…Total dissociative electron attachment cross sections are presented for the amino acids, glycine, alanine, proline, phenylalanine, and tryptophan, at energies…”
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Electron Attachment Energies of the DNA Bases by Aflatooni, K, Gallup, G. A, Burrow, P. D

“…Injection of electrons into the empty π* molecular orbitals of uracil and the DNA bases creates short-lived anion states whose energies have been determined by…”
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Assignments of Normally Unoccupied Orbitals to the Temporary Negative Ion States of Several Lanthanide NMR Shift Reagents and Comments on Resonance Involvement in Electron Circular Dichroism by Scheer, A. M, Gallup, G. A, Gay, T. J

“…We have measured the total electron scattering cross sections of several NMR shift reagent molecules X(hfc)3, where X = Yb, Er, Eu and Pr, by means of electron…”
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Atomic Spectral-Product Representations of Molecular Electronic Structure: Metric Matrices and Atomic-Product Composition of Molecular Eigenfunctions by Ben-Nun, M, Mills, J. D, Hinde, R. J, Winstead, C. L, Boatz, J. A, Gallup, G. A, Langhoff, P. W

“…Recent progress is reported in development of ab initio computational methods for the electronic structures of molecules employing the many-electron…”
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Quantum-mechanical analysis of a longitudinal Stern-Gerlach effect by Gallup, G A, Batelaan, H, Gay, T J

“…We present the results of a rigorous quantum-mechanical calculation of the propagation of electrons through an inhomogeneous magnetic field with axial…”
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Dechlorination Rate Constants on Iron and the Correlation with Electron Attachment Energies by Burrow, Paul D, Aflatooni, Kayvan, Gallup, Gordon A

“…The correlation between rate constants for dehalogenation of contaminants on iron surfaces and vertical attachment energies (VAEs), a gas phase measure of the…”
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Spin-exchange-induced circularly polarized molecular fluorescence by Green, A S, Gallup, G A, Rosenberry, M A, Gay, T J

“…We have measured the circular polarization of light emitted from both atomic H and molecular H2 after bombarding H2 with longitudinally polarized electrons…”
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Valence Bond Methods: Theory and Applications by Gallup, Gordon A.

“…Valence bond theory is one of two commonly used methods in molecular quantum mechanics, the other is molecular orbital theory. This book focuses on the first…”
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Preferential Bonding Orientations of Ferrocene on Surfaces by Waldfried, C, Welipitiya, D, Hutchings, C. W, de Silva, H. S. V, Gallup, G. A, Dowben, P. A, Pai, W. W, Zhang, Jiandi, Wendelken, J. F, Boag, N. M

“…We have measured the molecular orientation and bonding of adsorbed ferrocene on Ag(100) and Cu(100) using angle-resolved photoemission spectroscopy (ARPES)…”
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Application of the finite-element-discrete-model method for calculating resonance properties by Gallup, G. A.

“…A enhanced procedure implementing the finite-element-discrete-model method [R. K. Nesbet, Phys. Rev. A 24,1184 (1981)] for determining atomic or molecular…”
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Temporary Anion States of c loso-Carboranes and Diethyl Carborane by Aflatooni, K, Gallup, G. A, Burrow, P. D

“…The energies required to attach electrons into the low-lying normally unoccupied molecular orbitals of the carborane (C2B10H12) cage compounds closo-1,2-,…”
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The Lewis electron-pair model, spectroscopy, and the role of the orbital picture in describing the electronic structure of molecules by Gallup, G. A

“…The author addresses what one can expect quantum chemistry to say about the connections among spectroscopy, molecular structure, and the orbitals usually used…”
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Temporary Anion States of closo-Carboranes and Diethyl Carborane by AFLATOONI, K., GALLUP, G. A., BURROW, P. D.

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Valence-bond calculation of the electronic structure of benzene by Norbeck, J. M, Gallup, G. A

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Self-consistent-field calculation of nitrosyl hydride and nitrogen hydroxide by Gallup, G. A

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Selection rules for vibrational energy loss by resonant electron impact in polyatomic molecules by GALLUP, G. A

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