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Showing 13981 - 13995 of 20644
Publication
Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory
Journal Article
Journal of Chemical Theory and Computation, vol. 9, iss. 12, pp. 5490-5503, 2013
Authors
Daniel W. Silverstein, Niranjan Govind, Hubertus J. J. van Dam, Lasse Jensen
Publication
Fourier Transform Infrared Spectroscopy and Multivariate Analysis for Online Monitoring of Dibutyl Phosphate Degradation Product in Tributyl Phosphate/n-Dodecane/Nitric Acid Solvent
Journal Article
Industrial & Engineering Chemistry Research, vol. 52, iss. 49, pp. 17607-17617, 2013
Authors
Tatiana G. Levitskaia, James M. Peterson, Emily L. Campbell, Amanda J. Casella, Dean R. Peterman, Samuel A. Bryan
Publication
The Ground State of (CS)
4
Is Different from That of (CO)
4
: An Experimental Test of a Computational Prediction by Negative Ion Photoelectron Spectroscopy
Journal Article
The Journal of Physical Chemistry A, vol. 117, iss. 33, pp. 7841-7846, 2013
Authors
Jian Zhang, David A. Hrovat, Zhenrong Sun, Xiaoguang Bao, Weston Thatcher Borden, Xue-Bin Wang
Publication
Junction Plasmon-Induced Molecular Reorientation
Journal Article
The Journal of Physical Chemistry Letters, vol. 4, iss. 20, pp. 3435-3439, 2013
Authors
Patrick Z. El-Khoury, Dehong Hu, Wayne P. Hess
Publication
Chemical composition and sources of coastal marine aerosol particles during the 2008 VOCALS-REx campaign
Journal Article
Atmospheric Chemistry and Physics, vol. 14, iss. 10, pp. 5057-5072, 2014
Authors
Y.-N. Lee, S. Springston, J. Jayne, J. Wang, J. Hubbe, G. Senum, L. Kleinman, P. H. Daum
Publication
Carbon Capture Simulation Initiative: A Case Study in Multiscale Modeling and New Challenges
Journal Article
Annual Review of Chemical and Biomolecular Engineering, vol. 5, iss. 1, pp. 301-323, 2014
Authors
David C. Miller, Madhava Syamlal, David S. Mebane, Curt Storlie, Debangsu Bhattacharyya, Nikolaos V. Sahinidis, Deb Agarwal, Charles Tong, et al.
Publication
Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing
Journal Article
Modelling and Simulation in Materials Science and Engineering, vol. 22, iss. 2, pp. 025002, 2014
Authors
Yulan Li, Shenyang Hu, Lei Zhang, Xin Sun
Publication
Climatological simulations of ozone and atmospheric aerosols in the Greater Cairo region
Journal Article
Climate Research, vol. 59, iss. 3, pp. 207-228, 2014
Authors
AL Steiner, AB Tawfik, A Shalaby, AS Zakey, MM Abdel-Wahab, Z Salah, F Solmon, S Sillman, et al.
Publication
On the use of SRIM for computing radiation damage exposure
Journal Article
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, vol. 310, pp. 75-80, 2013
Authors
R.E. Stoller, M.B. Toloczko, G.S. Was, A.G. Certain, S. Dwaraknath, F.A. Garner
Publication
Improving the Sensitivity of Mass Spectrometry by Using a New Sheath Flow Electrospray Emitter Array at Subambient Pressures
Journal Article
Journal of the American Society for Mass Spectrometry, vol. 25, iss. 12, pp. 2028-2037, 2014
Authors
Jonathan T. Cox, Ioan Marginean, Ryan T. Kelly, Richard D. Smith, Keqi Tang
Publication
Proteomic identification and quantification of S-glutathionylation in mouse macrophages using resin-assisted enrichment and isobaric labeling
Journal Article
Free Radical Biology and Medicine, vol. 67, pp. 460-470, 2014
Authors
Dian Su, Matthew J. Gaffrey, Jia Guo, Kayla E. Hatchell, Rosalie K. Chu, Therese R.W. Clauss, Joshua T. Aldrich, Si Wu, et al.
Publication
PGP: parallel prokaryotic proteogenomics pipeline for MPI clusters, high-throughput batch clusters and multicore workstations
Journal Article
Bioinformatics, vol. 30, iss. 10, pp. 1469-1470, 2014
Authors
A. Tovchigrechko, P. Venepally, S. H. Payne
Publication
Top-Down Characterization of the Post-Translationally Modified Intact Periplasmic Proteome from the Bacterium Novosphingobium aromaticivorans
Journal Article
International Journal of Proteomics, vol. 2013, pp. 1-10, 2013
Authors
Si Wu, Roslyn N. Brown, Samuel H. Payne, Da Meng, Rui Zhao, Nikola Tolić, Li Cao, Anil Shukla, et al.
Publication
TIMING OF REDD CONSTRUCTION BY FALL CHINOOK SALMON IN THE HANFORD REACH OF THE COLUMBIA RIVER
Journal Article
River Research and Applications, vol. 30, iss. 9, pp. 1110-1119, 2013
Authors
D. B. Hayes, B. J. Bellgraph, B. M. Roth, D. D. Dauble, R. P. Mueller
Publication
Comparison of mixed layer heights from airborne high spectral resolution lidar, ground-based measurements, and the WRF-Chem model during CalNex and CARES
Journal Article
Atmospheric Chemistry and Physics, vol. 14, iss. 11, pp. 5547-5560, 2014
Authors
A. J. Scarino, M. D. Obland, J. D. Fast, S. P. Burton, R. A. Ferrare, C. A. Hostetler, L. K. Berg, B. Lefer, et al.
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