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Vibrational spectra and structure, ISSN 0090-1911, 1972
Journal
Journal of the American Chemical Society, ISSN 0002-7863, 02/2010, Volume 132, Issue 5, pp. 1484 - 1485
The hydrogen ion in water, Haq +, is a unique H13O6 + entity that defines the boundary of positive-charge delocalization. Its central unit is neither a C 3v... 
HYDRATED PROTON | INFRARED-SPECTRA | TRANSPORT | ACID | HCL SOLUTIONS | DYNAMICS | COMPUTER-SIMULATION | SYSTEMS | BOND | CHEMISTRY, MULTIDISCIPLINARY | VIBRATIONAL-SPECTRUM | Protons | Molecular Structure | Spectrophotometry, Infrared | Water - chemistry | Water | Atomic properties | Eigenfunctions | Usage | Chemical properties | Hydrogen
Journal Article
Journal of Applied Physics, ISSN 0021-8979, 09/2014, Volume 116, Issue 10, p. 103508
Raman spectra of R2O3 (R-Sc, Er, Y, Ho, Gd, Eu, and Sm) powders with C-type bixbyite crystal structure are measured... 
SINGLE-CRYSTALS | HIGH-PRESSURE | PHYSICS, APPLIED | OXIDE STRUCTURE | SPECTROSCOPY | SC2O3 | X-RAY-DIFFRACTION | LU2O3 | VIBRATIONAL-SPECTRA | CERAMICS | YTTRIUM | Oxides | Spectra | Raman spectroscopy | Europium | Analysis
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 09/2018, Volume 57, Issue 39, pp. 12956 - 12960
We report on the first unambiguous detection of the elusive [HSi9]3− anion in solutions of liquid ammonia by various 29Si and 1H NMR experiments including... 
X-ray diffraction | 29Si NMR spectroscopy | silicides | CEST | Zintl anions | Si NMR spectroscopy | Silicides | Nuclear magnetic resonance spectroscopy | Clusters | Organic chemistry | Ammonia | Liquid ammonia | Anions | Nuclear magnetic resonance--NMR
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 01/2017, Volume 56, Issue 2, pp. 501 - 504
We use cryogenic ion vibrational spectroscopy to characterize the structure and fluxionality of the magic number boron cluster B13... 
infrared photodissociation spectroscopy | molecular dynamics simulations | anharmonic effects | boron clusters | internal rotation | Spectrum analysis | Spectroscopy | Infrared spectroscopy | Boron | Computer simulation | Molecular dynamics | Photodissociation | Isomers | Vibrational spectra
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 11/2015, Volume 143, Issue 18, p. 184301
Journal Article
Journal of the American Ceramic Society, ISSN 0002-7820, 11/2011, Volume 94, Issue 11, pp. 3605 - 3628
...I. Atomic Structure, Stoichiometry, and Polytypism The atomic structure of boron carbide has been extensively discussed in the literature. The primary... 
RAMAN-SPECTRA | ELECTRONIC-STRUCTURES | METAL-INSULATOR-TRANSITION | SINGLE-CRYSTAL | INTERICOSAHEDRAL CHAINS | NUCLEAR-MAGNETIC-RESONANCE | STRENGTH PROPERTIES | VIBRATIONAL PROPERTIES | RICH SOLIDS | MECHANICAL-PROPERTIES | MATERIALS SCIENCE, CERAMICS | Stresses | Stability | Abrasion resistance | Semiconductors | Electronics | Instability | Density | Boron carbide
Journal Article
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 02/2012, Volume 14, Issue 8, pp. 2849 - 2856
.... These IR spectra are compared to the calculated spectra of the global minimum structures predicted by a hybrid ab initio genetic algorithm... 
M-STARS | FREE-ELECTRON-LASER | MAGNESIUM-OXIDE CLUSTERS | ZETA VALENCE QUALITY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | SENSITIVITY | CHEMISTRY, PHYSICAL | ATOMS | BASIS-SETS | INFRARED-SPECTROSCOPY | CARBON NANOTUBES | Mathematical analysis | Magnesium oxide | Clusters | Infrared radiation | Tubes | Spectra | Cages | Vibrational spectra
Journal Article
Journal of Biochemistry, ISSN 0021-924X, 11/2016, Volume 160, Issue 5, pp. 251 - 258
Journal Article
ACS Catalysis, ISSN 2155-5435, 03/2015, Volume 5, Issue 3, pp. 1432 - 1444
.... The surface ReOx sites were found to be isolated surface dioxo (O=)(2)ReO2 species, which represent the most stable surface rhenia structures on alumina as shown by DFT... 
olefin metathesis | alumina | DFT | spectroscopy | catalysts | rhenia | OXIDATION | MIXED OXIDES | RHENIUM OXIDE CATALYSTS | ACTIVE-SITES | RAMAN-SPECTROSCOPY | CHEMISTRY, PHYSICAL | TOTAL-ENERGY CALCULATIONS | VIBRATIONAL-SPECTRA | GAMMA-ALUMINA SURFACES | RE/GAMMA-AL2O3 CATALYSTS | WAVE BASIS-SET | or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 06/2018, Volume 140, Issue 24, pp. 7554 - 7560
.... Despite many experimental and theoretical studies, there is no consensus on a Ser8H+ structure that is in agreement with all experimental observations... 
DENSITY FUNCTIONALS | QUANTUM-CHEMISTRY | MAGIC NUMBER CLUSTERS | THERMAL FORMATION | DISSOCIATION | SPECTROSCOPY | AMINO-ACIDS | METACLUSTERS | VIBRATIONAL-SPECTRA | CHEMISTRY, MULTIDISCIPLINARY | PHOTODISSOCIATION
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 03/2011, Volume 133, Issue 11, pp. 3846 - 3853
Sum-frequency vibrational spectroscopy was used to study the protonated R-plane (11̅02) sapphire surface. The OH stretch vibrational spectra show that the... 
Stoichiometry | Sapphires | Analysis | Spectra | Structure | Vibrational spectra | Electric properties | MATERIALS SCIENCE
Journal Article