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Ruth L. Jacobsen, Karl K. Irikura, Russell D. Johnson III, Raghu N. Kacker
Anharmonic calculations using vibrational perturbation theory are known to provide near-spectroscopic accuracy when combined with high-level ab initio potential energy functions. However, performance with economical, popular electronic structure methods is
Richard W. Hendler, Curtis W. Meuse, Paul Smith, John W. Kakareka
We recently published procedures describing the isolation of absolute infrared spectra for the intermediates of the bacteriorhodopsin (BR) photocycle and from these, obtaining transitional difference spectra between consecutive intermediates. In that work
Yoshihiro Nakashima, Michael A. Boss, Stephen E. Russek, John M. Moreland
We have developed a nuclear magnetic resonance (NMR) microcapillary probe for the detection of single magnetic microbeads. The geometry of the probe has been optimized so that the signal from the background water has a similar magnitude compared to the
Alexander M. Zolot, Fabrizio R. Giorgetta, Esther Baumann, William C. Swann, Ian R. Coddington, Nathan R. Newbury
The Doppler-limited spectra of methane between 176 THz and 184 THz (5870-6130 cm −1) and acetylene between 193 THz and 199 THz (6430-6630 cm −1) are acquired via comb-tooth resolved dual comb spectroscopy with frequency accuracy traceable to atomic
John Peter Ngunjiri, Daniel J. Stark, Tian Tian, Kimberly Briggman, Jayne C. Garno
The immobilization of proteins on nanopatterned surfaces was investigated using in situ atomic force microscopy (AFM) and ex situ infrared reflectance-absorption spectroscopy (IRAS). The AFM-based lithography technique of nanografting provided control of
Yuri Ralchenko, John D. Gillaspy, Joseph Reader, Dmitry D. Osin
The electron beam ion trap (EBIT) at the National Institute of Standards and Technology was used to produce highly-charged ions of hafnium, tantalum and gold with an open $3d$ shell. The extreme-ultraviolet (EUV) spectra from these ions were recorded with
Walter J. Lafferty, Jean-Marie Flaud, A. Ben Hassen, F. K. Kwabia Tchana, X Landsheere, H Aroui
Fourteen Fourier transform spectra of ethylene (C2H4) have been recorded in the 1800-2350 spectral domain with different path-lengths and pressures and used to derive individual line intensities for lines belonging to the ν7 + ν8, ν4 + ν8 , ν6 + ν10, ν6 +
Robynne Kirkpatrick, Tony Masiello, Mathew A. Martin, Joseph W. Nibler, Arthur Maki, Alfons Weber, Thomas A. Blake
This paper is a continuation of earlier work for which the high resolution infrared spectrum of [1.1.1]propellane was measured and its k and l structure resolved for the first time. Here we present results from an analysis of more than 16,000 transitions
Young J. Lee, Chad R. Snyder, Aaron M. Forster, Marcus T. Cicerone, Wen-Li Wu
Polyethylene (PE) is a ubiquitous material in our daily life appearing as milk bottles, toys and diapers. A lesser-known but increasingly important use of PE is as underground gas and water pipes, because of its ease of installation and lack of corrosion
Electron magnetic resonance (EMR) spectroscopy was used to determine the magnetic properties of maghemite (gamma-F e2O 3) nanoparticles formed within size-constraining Listeria innocua Dps protein cages that have an inner diameter of 5 nm. Variable
Yuri Ralchenko, Deirdre Kilbane, G. O'Sullivan, John D. Gillaspy, Joseph Reader
Measurements of extreme ultraviolet radiation from highly-charged gadolinium ions were made at the National Institute of Standards and Technology. The ions were produced and confined in an electron beam ion trap (EBIT) and the spectra were recorded with a
Li Liu, Dan Bearden, Juan C. Rodriguez, Kathleen S. Rein
Pahayokolides A-B are cyanobacteria derived non-ribosomal peptides which exhibit cytotoxicity against a number of cancer cell lines. The biosynthetic origin of the 3-amino-2,5,7,8- tetrahydroxy-10-methylundecanoic acid (Athmu) moiety has been investigated
David R. Lide, Richard D. Suenram, Donald R. Johnson, Francis J. Lovas
This paper describes the beginning and evolution of microwave rotational spectroscopic research starting in 1954 at the National Bureau of Standards (NBS) located at that time in Washington DC. David Lide was hired in 1954 to start this research originally
Joseph J. Walish, Yin Fan , Andrea Centrone, Edwin L. Thomas
Controlling the color via temperature-induced changes of self-assembled photonic materials is important for their application in sensors and displays. The thermochromic behavior of a PS-P2VP photonic gel was studied (UV-VIS, FTIR) and found to originate
Stephen L. Redman, Florian Kerber, Gillian Nave, Suvrath Mahadevan, Lawrence W. Ramsey, Jonathan Smoker, H-U Kaufl, Pedro Figueira
We present work done to prepare two new near-infrared calibration sources for use on high-precision astrophysical spectrographs. Uranium-neon is an atomic calibration source, commercially available as a hollow-cathode lamp, with over 10 000 known emission
Jason Streit, Sergei M. Bachilo, Anton V. Naumov, Constantine Y. Khripin, Ming Zheng, R B. Weisman
A new method is demonstrated for measuring the length distributions of dispersed single-walled carbon nanotube (SWCNT) samples by analyzing diffusional motions of many individual nanotubes in parallel. In this method, termed Length Analysis by Nanotube
Nicholas Ritchie, Dale E. Newbury, Jeffrey M. Davis
The accuracy and precision of x-ray intensity measurements with an silicon drift detector (SDD) are compared with the same measurements performed on a wavelength spectrometer (WDS) for a variety of elements in a variety of materials. In cases of major (> 0
Simple quantum systems play important roles in the determination of fundamental constants. Very recently at NIST, bare nuclei created in an EBIT were extracted and captured in a novel compact Penning trap. This is a step towards production of one-electron
There are now a large number of papers in the spectroscopic literature which make use of multiple-valued (frequently double-valued) coordinate systems and the associated multiple-groups of the permutation-inversion group to deal with the symmetry
A newly constructed apparatus at the United States National Institute of Standards and Technology (NIST) is designed for the isolation, manipulation, and study of highly charged ions. Highly charged ions are produced in the NIST electron-beam ion trap
Dan Bearden, Arezue F. Boroujerdi, Peter A. Lee, Giacomo R. DiTullio, Michael G. Janech, Sarah B. Vied
Nuclear magnetic resonance (NMR)-spectroscopy has been used to obtain metabolic profiles of the polar diatom Fragilariopsis cylindrus, leading to the identification of a novel metabolite in this organism. Initial results from an ongoing metabolomics study
Highly accurate spectroscopic models for O2 A-band absorption are required in numerous satellite- and ground-based remote sensing measurements of atmospheric greenhouse gases. In this study, we quantify the sensitivity of the calculated A-band transmission
W DeGraffenreid, Sarah C. Campbell, Craig J. Sansonetti
The spectra of uranium and thorium are convenient sources of reference lines for wavelength calibration at the level of a few parts in 108. We observed these spectra by laser optogalvanic spectroscopy in commercial hollow-cathode lamps using a single
Joseph Reader, John Gillaspy, Dmitry D. Osin, Yuri Ralchenko
We describe recent observations with the electron beam ion trap (EBIT) at the National Institute of Standards and Technology (NIST) in which we observed large numbers of magnetic dipole (M1) transitions within the 3dn ground configurations of the highly