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Displaying 2726 - 2750 of 2770

Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms

January 4, 2021
Author(s)
Kathleen Schwarz, Alex Maldonado, Tae Hoon Choi, Frank Eckert, Satoshi Hagiwara, Minoru Otani, Ravishankar Sundararaman, John Keith
Computational quantum chemistry provides fundamental chemical and physical insights into solvated reaction mechanisms across many areas of chemistry, especially in homogeneous and heterogeneous renewable energy catalysis. Such reactions may depend on

Electrically Conductive 3D Metal-Organic Framework Featuring p-Acidic Hexaazatriphenylene Hexacarbonitrile Ligands with Anion-p Interaction and Efficient Charge-Transport Capabilities

September 8, 2020
Author(s)
Ashok Yadav, Dillip K. Panda, Shiyu Zhang, Wei Zhou, Sourav Saha
Owing to their unparalleled synthetic simplicity, structural tunability, and functional versatility, electrically conductive metal–organic frameworks (MOFs) have emerged as one of the most promising electronic materials of the 21 st century. With much of

Reverse and Random Decoy Methods for False Discovery Rate Estimation in High Mass Accuracy Peptide Spectral Library Searches

February 2, 2018
Author(s)
Zheng Zhang, Meghan C. Burke, Yuri A. Mirokhin, Dmitrii V. Tchekhovskoi, Sanford P. Markey, Wen Yu, Raghothama Chaerkady, Sonja Hess, Stephen E. Stein
Spectral library searching (SLS) is an attractive alternative to sequence database searching (SDS) for peptide identification due to its speed, sensitivity, and ability to include any selected mass spectra. However, SLS does not have a widely tested and

Crystal Structure and Properties of Ba 5 Fe 4 ^Ti 10 O 31

February 23, 1998
Author(s)
T Siegrist, Terrell A. Vanderah, A P. Ramirez, Richard G. Geyer, Robert S. Roth
Using single-crystal and powder X-ray diffraction methods, the crystal structure of the new compound Ba 5Fe 4Ti 10O 31 was determined and its magnetic and dielectric properties were measured. Ba 5Fe 4Ti 10O 31 crystallizes in space group P6 3/mcm (no. 193)

EFFECT OF FLUID PROPERTIES ON CONTACT ANGLES IN THE EAGLE FORD SHALE MEASURED WITH SPONTANEOUS IMBIBITION

November 19, 2021
Author(s)
Joanna McFarlane, Victoria H. DiStefano, Philip R. Bingham, Hassina Z. Bilheux, Michael C. Cheshire, Richard E. Hale, Daniel Hussey, David Jacobson, Lindsay M. Kolbus, Jacob LaManna, Edmund Perfect, Mark Rivers, Louis J. Santodonato, Lawrence M. Anovitz
… bicarbonate uptakes, which suggested that the bicarbonate ion prevented the hydration of the shale minerals. This study …

Incomplete reactions in nanothermite composites

February 3, 2017
Author(s)
Rohit J. Jacob, Diana Ortiz-Montalvo, Kyle R. Overdeep, Timothy P. Weihs, Michael R. Zachariah
… quantitatively analyzed using electron microscopy, Focused Ion Beam cross-sectioning followed by Energy Dispersive X-ray …
Displaying 2726 - 2750 of 2770
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