Search Results - "Sibert, L"

Modeling Anharmonic Effects in the Vibrational Spectra of High-Frequency Modes by Sibert, Edwin L

“…High-resolution vibrational spectra of C-H, O-H, and N-H stretches depend on both molecular conformation and environment as well as provide a window into the…”
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Unraveling the Vibrational Spectral Signatures of a Dislocated H Atom in Model Proton-Coupled Electron Transfer Dyad Systems by Chen, Liangyi, Fournier, Joseph A.

“…Phenol–benzimidazole and phenol–pyridine proton-coupled electron transfer (PCET) dyad systems are computationally investigated to resolve the origins of the…”
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Isobutane Infrared Bands: Partial Rotational Assignments, ab Initio Calculations, and Local Mode Analysis by Bernath, Peter F, Bittner, Dror M, Sibert III, Edwin L

“…High-resolution infrared spectra of the symmetric top isobutane CH­(CH3)3 were assigned with the help of ab initio calculations. The strong parallel band…”
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Molecular Cage Reports on Its Contents: Spectroscopic Signatures of Cryo-Cooled K+- and Ba2+-Benzocryptand Complexes by Foley, Casey D., Allen, Cole D., Au, Kendrew, Lee, Chin, Rempe, Susan B., Ren, Pengyu, Sibert, Edwin L., Zwier, Timothy S.

“…UV photofragment spectroscopy and IR–UV double resonance methods are used to determine the structure and spectroscopic responses of a three-dimensional…”
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Fermi Resonance Effects in the Vibrational Spectroscopy of Methyl and Methoxy Groups by Sibert, Edwin L, Tabor, Daniel P, Kidwell, Nathanael M, Dean, Jacob C, Zwier, Timothy S

“…A theoretical model Hamiltonian [J. Chem. Phys. 2013, 138, 064308] for describing vibrational spectra associated with the CH stretch of CH2 groups is extended…”
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Isomer-Specific Spectroscopy of Benzene–(H2O) n , n = 6,7: Benzene’s Role in Reshaping Water’s Three-Dimensional Networks by Tabor, Daniel P, Kusaka, Ryoji, Walsh, Patrick S, Sibert, Edwin L, Zwier, Timothy S

“…The water hexamer and heptamer are the smallest sized water clusters that support three-dimensional hydrogen-bonded networks, with several competing structures…”
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Spectroscopic Manifestations of Indirect Vibrational State Mixing: Novel Anharmonic Effects on a Prereactive H Atom Transfer Surface by Sibert, Edwin L., Blodgett, Karl N., Zwier, Timothy S.

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Development of an Objective Structured Clinical Examination (OSCE) to evaluate the diagnosis announcement of chronic neurological disease by residents in neurology by Grangeon, L., Wallon, D., Bourre, B., Guillaume, M., Guegan-Massardier, E., Guyant-Marechal, L., Liard, A., Sibert, L., Maltete, D.

“…There is little consensus on how to make a diagnosis announcement of severe chronic disease in neurology. Other medical specialties, such as oncology, have…”
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Local Mode Approach to OH Stretch Spectra of Benzene–(H2O) n Clusters, n = 2–7 by Tabor, Daniel P, Kusaka, Ryoji, Walsh, Patrick S, Zwier, Timothy S, Sibert, Edwin L

“…Isomer-specific resonant ion-dip infrared spectra are presented for benzene–water (Bz–(H2O) n ) clusters with two to seven water molecules. Local mode…”
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The feasibility of fertility preservation in adolescents with Klinefelter syndrome by Rives, N., Milazzo, J. P., Perdrix, A., Castanet, M., Joly-Hélas, G., Sibert, L., Bironneau, A., Way, A., Macé, B.

“…STUDY QUESTION Is fertility preservation feasible after the onset of puberty in adolescents with Klinefelter syndrome (KS)? SUMMARY ANSWER Fertility…”
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Investigating Intramolecular H Atom Transfer Dynamics in β-Diketones with Ultrafast Infrared Spectroscopies and Theoretical Modeling by Dean, Jessika L.S., Winkler, Valerie S., Boyer, Mark A., Sibert, Edwin L., Fournier, Joseph A.

“…The vibrational signatures and ultrafast dynamics of the intramolecular H-bond in a series of β-diketones are investigated with 2D IR spectroscopy and…”
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Sperm chromatin condensation defects, but neither DNA fragmentation nor aneuploidy, are an independent predictor of clinical pregnancy after intracytoplasmic sperm injection by Bichara, C., Berby, B., Rives, A., Jumeau, F., Letailleur, M., Setif, V., Sibert, L., Rondanino, C., Rives, Nathalie

“…Purpose The impact of sperm DNA damage on intracytoplasmic sperm injection (ICSI) outcomes remains controversial. The purpose of the study was to evaluate the…”
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Identification of factors associated with performance in objective structured clinical examination in Rouen medical school by Leclercq, M, Vannier, M, Benhamou, Y, Liard, A, Gilard, V, Auquit-Auckbur, I, Levesque, H, Sibert, L, Schneider, P

“…Objective structured clinical examination (OSCE) became a national exam at the end of medical studies in France. The aim of this study was to identify the…”
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Cyclohexane Vibrations: High-Resolution Spectra and Anharmonic Local Mode Calculations by Bernath, Peter F, Sibert III, Edwin L

“…High-resolution infrared absorption spectra of cyclohexane have been recorded from 1100 to 4000 cm–1 at room temperature and 241 K. Cyclohexane is an oblate…”
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Differential impact of COVID-19 on urological surgeries in public and private institutions between 2019 and 2021 in France by Brument, M, Defortescu, G, Bugel, H, Sibert, L, Duflot, T, Dupuis, H, Surlemont, L, Pfister, C, Cornu, J-N

“…The COVID-19 pandemic disrupted all routine health care services in 2020. To date, data regarding adjustment and coverage of surgical backlog in the post-COVID…”
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Towards a first-principles model of Fermi resonance in the alkyl CH stretch region: application to 1,2-diphenylethane and 2,2,2-paracyclophane by Buchanan, Evan G, Dean, Jacob C, Zwier, Timothy S, Sibert, 3rd, Edwin L

“…The spectroscopy of two flexible hydrocarbons, 1,2-diphenylethane (DPE) and 2,2,2-paracyclophane (TCP) is presented, and a predictive theoretical model for…”
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Script concordance test and continuing medical education: A marriage that can only be successful! by Sibert, L

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Neopentane Vibrations: High Resolution Spectra and Anharmonic Calculations by Bernath, Peter F, Sibert III, Edwin L, Dulick, Michael

“…High resolution infrared absorption spectra of neopentane (2,2-dimethylpropane, C5H12) have been recorded in the mid-infrared region at room temperature and…”
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A First-Principles Model of Fermi Resonance in the Alkyl CH Stretch Region: Application to Hydronaphthalenes, Indanes, and Cyclohexane by Sibert, Edwin L, Kidwell, Nathanael M, Zwier, Timothy S

“…The infrared (IR) spectroscopy of the alkyl CH stretch region (2750–3000 cm–1) of a series of bicyclic hydrocarbons and free radicals has been studied under…”
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Local-Mode Approach to Modeling Multidimensional Infrared Spectra of Metal Carbonyls by Baiz, Carlos R, Kubarych, Kevin J, Geva, Eitan, Sibert, Edwin L

“…We present a general approach for modeling multidimensional infrared spectra based on a combination of phenomenological fitting and ab initio electronic…”
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