Search Results - "Johnson, Russell D"

Uncertainties in Scaling Factors for ab Initio Vibrational Frequencies by Irikura, Karl K, Johnson, Russell D, Kacker, Raghu N

“…Vibrational frequencies determined from ab initio calculations are often scaled by empirical factors. An empirical scaling factor partially compensates for the…”
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Scaling Factors and Uncertainties for ab Initio Anharmonic Vibrational Frequencies by Johnson, Russell D, Irikura, Karl K, Kacker, Raghu N, Kessel, Rüdiger

“…To predict the vibrational spectra of molecules, ab initio calculations are often used to compute harmonic frequencies, which are usually scaled by empirical…”
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Anharmonic Vibrational Frequency Calculations Are Not Worthwhile for Small Basis Sets by Jacobsen, Ruth L, Johnson, Russell D, Irikura, Karl K, Kacker, Raghu N

“…Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio…”
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Is NO3 Formed during the Decomposition of Nitramine Explosives? by Irikura, Karl K, Johnson, Russell D

“…Quantum chemistry calculations reveal that it is both thermodynamically and kinetically feasible for NO2 to be oxidized by RDX…”
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Genetic and Biochemical Studies of Protein N-Myristoylation by Johnson, D R, Bhatnagar, R S, Knoll, L J, Gordon, J I

“…(DBO)…”
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Storage and mobilization of natural and septic nitrate in thick unsaturated zones, California by Izbicki, John A., Flint, Alan L., O’Leary, David R., Nishikawa, Tracy, Martin, Peter, Johnson, Russell D., Clark, Dennis A.

“…•Natural and NO3 from septic sources are stored in unsaturated zone in arid areas.•Denitrification in the unsaturated zone is about 5–10%.•Managed aquifer…”
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Uncertainties in scaling factors for ab initio vibrational zero-point energies by Irikura, Karl K, Johnson, Russell D, Kacker, Raghu N, Kessel, Rüdiger

“…Vibrational zero-point energies (ZPEs) determined from ab initio calculations are often scaled by empirical factors. An empirical scaling factor partially…”
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Predicting Unexpected Chemical Reactions by Isopotential Searching by Irikura, Karl K, Johnson, Russell D

“…The reactions of a chemical system are dictated by the corresponding potential energy surface (PES). Since reasonably accurate PESs are now available from…”
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Thermodynamic properties of methylquinolines: Experimental results for 2,6-dimethylquinoline and mutual validation between experiments and computational methods for methylquinolines by Chirico, Robert D., Johnson, Russell D., Steele, William V.

“…Measurements leading to the calculation of the standard thermodynamic properties for gaseous 2,6-dimethylquinoline (Chemical Abstracts registry number…”
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Saccharomyces cerevisiae contains four fatty acid activation (FAA) genes: an assessment of their role in regulating protein N-myristoylation and cellular lipid metabolism by Johnson, D.R. (Washington University School of Medicine, St. Louis, MO.), Knoll, L.J, Levin, D.E, Gordon, J.I

“…Saccharomyces cerevisiae has been used as a model for studying the regulation of protein N-myristoylation. MyristoylCoA:protein N-myristoyl-transferase…”
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Electronic Structure of BCl Determined by Ab Initio Calculations and Resonance-Enhanced Multiphoton Ionization Spectroscopy by Irikura, Karl K, Johnson, Russell D, Hudgens, Jeffrey W

“…The mass-resolved, one-color, 2 + 1 resonance-enhanced multiphoton ionization spectrum of transient boron monochloride (BCl) between 348 and 369 nm is…”
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Heat of Formation of OBrO:  Experimental Photoionization Study by Klemm, R. Bruce, Thorn, R. Peyton, Stief, Louis J, Buckley, Thomas J, Johnson, Russell D

“…The appearance energy of BrO+ from the dissociative ionization of OBrO was determined from the photoionization efficiency spectrum of BrO+ over the wavelength…”
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Ab Initio Ionization and Excitation Spectra Involving IO(X2Π) and IO+(X3Σ-, aΔ, b1Σ+) by Hassanzadeh, Parviz, Irikura, Karl K, Johnson, Russell D

“…An equilibrium bond length of r e = 1.894 Å and harmonic vibrational frequency of ωe = 664 cm-1 are computed for IO(XΠ) at the nonrelativistic all-electron…”
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Two photon resonance-enhanced multiphoton ionization spectroscopy of the 3p.pi. D 2.PI.r(v' = 0,1,2) .rarw..rarw. 2.PI.r(v'' = 0) bands of the fluoromethylidyne radical between 355 and 385 nm by Johnson, Russell D, Hudgens, Jeffrey W

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Photoionization Efficiency Spectrum and Ionization Energy of OBrO by Thorn, R. Peyton, Stief, Louis J, Buckley, Thomas J, Johnson, Russell D, Monks, Paul S, Klemm, R. Bruce

“…The photoionization efficiency (PIE) spectrum of OBrO was measured over the wavelength range λ = 86−126 nm using a discharge flow-photoionization mass…”
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Discharge Flow-Photoionization Mass Spectrometric Study of HNO:  Photoionization Efficiency Spectrum and Ionization Energy and Proton Affinity of NO by Kuo, Szu-Cherng, Zhang, Zhengyu, Ross, Stuart K, Klemm, R. Bruce, Johnson, Russell D, Monks, Paul S, Thorn, R. Peyton, Stief, Louis J

“…Photoionization efficiency (PIE) spectra of HNO were measured over the wavelength range λ = 110−125 nm and in the ionization threshold region, λ = 118−124 nm,…”
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Suppressors of nmt1-181, a Conditional Lethal Allele of the Saccharomyces cerevisiae Myristoyl-CoA:Protein N-Myristoyltransferase Gene, Reveal Proteins Involved in Regulating Protein N-Myristoylation by Johnson, D. Russell, Cok, Steven J., Feldmann, Horst, Gordon, Jeffrey I.

“…Several essential Saccharomyces cerevisiae proteins require myristate to be covalently bound to their amino-terminal glycine for biological activity. Protein…”
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Complementation of Saccharomycescerevisiae Strains Containing Fatty Acid Activation Gene (FAA) Deletions with a Mammalian Acyl-CoA Synthetase by Knoll, Laura J., Johnson, D. Russell, Gordon, Jeffrey I.

“…Four unlinked fatty acid activation (FAA) genes encoding acyl-CoA synthetases have been identified in Saccharomyces cerevisiae and characterized by noting the…”
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Does Higher Quality Mean Higher Cost? by Johnson, Russell D, Kleiner, Brian H

“…The conventional wisdom of managers in the US dictates that improving product quality will increase the cost of making the product which will either increase…”
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Petrov-Galerkin FEM for Solving Second-Order IVPs and its a Posteriori Analysis by Johnson, Russell D

“…Numerical integration schemes are frequently used to create approximations to solutions of second-order ordinary differential equations (ODEs). Numerous…”
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