SEARCH · Engineering Papers
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Abstracts are provided for 132 patents and patent applications entered into the NASA scientific and technical information system during the period July 1990 through December 1990. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 154 patents and patent applications entered into the NASA scientific and technical information systems during the period Jan. 1991 through Jun. 1991. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 181 patents and patent applications entered into the NASA scientific and technical information system during the period July 1991 through December 1991. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 131 patents and patent applications entered into the NASA scientific and technical information system during the period Jan. 1992 through Jun. 1992. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 174 patents and patent applications entered into the NASA scientific and technical information system during the period July 1992 through December 1992. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 128 patents and patent applications entered into the NASA scientific and technical information system during the period Jan. 1993 through Jun. 1993. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 131 patents and patent applications entered into the NASA scientific and technical information system during the period Jun. 1993 through Dec. 1993. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 137 patents and patent applications entered into the NASA scientific and technical information system during the period Jan. 1994 through Jun. 1994. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
Abstracts are provided for 85 patents and patent applications entered into the NASA scientific and technical information system during the period July 1995 through December 1995. Each entry consists of a citation, an abstract, and in most cases, a key illustration selected from the patent or patent application.
We report a permutationally invariant global potential energy surface (PES) for the H + CH{sub 4} system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J{sub tot} = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)].
Patents and applications for patent introduced into the NASA scientific and technical information system are cited. Each entry consists of a citation, an abstract, and a key illustration selected from the patent or application for patent. The patent and application for patent citations are indexed according to subject, inventor, source, number, and accession number.
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We report ammonia oxidation by homolytic cleavage of all three H atoms from a Mo৶ 15 NH 3 complex using the 2,4,6-tri-tert-butylphenoxyl radical to afford a Mo-alkylimido (Mo৶ 15 NR) complex (R = 2,4,6-tri-t-butylcyclohexa-2,5-dien-1-one). Reductive cleavage of Mo৶15NR generates a terminal Mo৶N nitride, and a [Mo৶ 15 NH] + complex is formed by protonation. Computational analysis describes the energetic profile for the stepwise removal of three H atoms from the Mo৶ 15 NH 3 complex and the formation of Mo৶ 15 NR. Acknowledgment. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Re-search Center funded by the U.S. Department of Energy (U.S. DOE), Office of Science, Office of Basic Energy Sciences. EPR and mass spectrometry experiments were performed using EMSL, a national scientific user facility sponsored by the DOE’s Office of Biological and Environmental Research and located at PNNL. The authors thank Dr. Eric D. Walter and Dr. Rosalie Chu for assistance in performing EPR and mass spectroscopy analysis, respectively. Computational resources provided by the National Energy Re-search Scientific Computing Center (NERSC) at Lawrence Berkeley National Laboratory. Pacific North-west National Laboratory is operated by Battelle for the U.S. DOE.