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Displaying 3776 - 3800 of 3844

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

Antibacterial nanocomposites containing amorphous calcium phosphate and silver nanoparticles with different filler levels

May 7, 2012
Author(s)
Lei Cheng, Michael D. Weir, Hockin H. Xu, Joseph M. Antonucci, Nancy Lin, Sheng Lin-Gibson, Sarah M. Xu, Xuedong Zhou
A dental composite containing amorphous calcium phosphate nanoparticles (NACP) was developed that released high levels of calcium (Ca) and phosphate (PO4) ions and possessed acid neutralization capability. There has been little study on incorporation of
Displaying 3776 - 3800 of 3844
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