Search Results - "Kaledin, A L"

Full Dimensional Quantum Calculations of Vibrational Energies of N-Methyl Acetamide by Kaledin, A. L, Bowman, J. M

“…We report quantum calculations of vibrational states of trans N-methyl acetamide (H3C−HNCO−CH3) in full dimensionality using the code MULTIMODE. In this code,…”
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Influence of recanalization of chronic total occlusion of the left anterior descending artery on heart failure in elderly patients by Kaledin, A L, Kochanov, I N, Arkharov, I V, Imran, S M, Kostina, I S, Kozlov, K L

“…In article, analysis has been carried out on the influence of recanalization of chronic total occlusion of left anterior descending artery on the course of…”
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Prognostic value of diastolic dysfunction for sudden cardiac death of patients after myocardial infarction by Boldueva, S A, Bykova, E G, Leonova, I A, Iarmosh, I V, Arkharov, I V, Kaledin, A L, Kukharchik, G A

“…We studied prognostic value of left ventricular (LV) diastolic dysfunction (DD) in relation to sudden cardiac death (SCD) after myocardial infarction (MI). We…”
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P5747The effect of additional intracoronary papaverine administration during hyperemia with intravenous adenosine triphosphate infusion, on fractional flow reserve values by Podmetin, P, Burak, T Y, Kochanov, I N, Kaledin, A L

“…Abstract Introduction Fractional flow reserve (FFR) measurement requires the achievement of steady-state maximum hyperemia. One of the main agents used for the…”
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Density functional calculations of beryllium clusters Be n, n=2–8 by Beyer, Martin K., Kaledin, Leonid A., Kaledin, Alexey L., Heaven, Michael C., Bondybey, Vladimir E.

“…Neutral beryllium clusters Be n , n=2–8, were investigated by density functional techniques. To minimize errors, geometry optimization, frequency and energy…”
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A preliminary analysis of a prospective multicenter randomized controlled study of the efficacy and safety on traditional and distal radial access in interventional cardiology by Kartashov, Dmitry S., Babunashvili, Avtandil M., Shumakov, Dmitry V., Korotkikh, Alexander V., Kaledin, Alexander L., Derkach, Vladislav V., Portnov, Roman M., Ahramovich, Ruslan V., Zulkarnaev, Alexey B.

“…Background: Despite the obvious advantages of transradial access and its widespread use, there are technical problems that force interventional surgeons to…”
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The Electronic Structure of the Lanthanide Monohalides: A Ligand Field Approach by Kaledin, Alexey L., Heaven, Michael C., Field, Robert W., Kaledin, Leonid A.

“…Ligand field theory calculations of energy levels were performed for the neutral lanthanide monohalides by treating the molecular electronic states…”
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Electronic structure of Be2: theoretical and experimental results by Kaledin, L.A, Kaledin, A.L, Heaven, M.C, Bondybey, V.E

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Peculiarities of arterial access in endovascular surgery in elderly patients by Kaledin, A L, Kochanov, I N, Seletskiĭ, S S, Arkharov, I V, Burak, T Ia, Kozlov, K L

“…In elderly patients, when performing endovascular cathlabs manipulation the radial and cubital accesses is preferable. We propose a new arterial access on the…”
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Laser Absorption Spectroscopy of LaF+: Ligand Field Assignment of States in the Range 0–4 eV by Kaledin, Leonid A., Kaledin, Alexey L., Heaven, Michael C.

“…The laser absorption spectrum of the LaF+molecular ion has been observed for the first time. Gas-phase LaF was obtained by heating a mixture of La metal and…”
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Vibrational Analysis of the H5O2 + Infrared Spectrum Using Molecular and Driven Molecular Dynamics by Kaledin, Martina, Kaledin, Alexey L, Bowman, Joel M

“…Standard molecular and driven molecular dynamics are used to analyze prominent spectral features in the H5O2 + infrared spectrum. In the driven method, the…”
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Normal mode analysis using the driven molecular dynamics method. II. An application to biological macromolecules by Kaledin, Martina, Brown, Alex, Kaledin, Alexey L, Bowman, Joel M

“…The driven molecular-dynamics (DMD) method, recently proposed by Bowman, Zhang, and Brown [J. Chem. Phys. 119, 646 (2003)], has been implemented into the…”
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Accurate Ionization Potentials for UO and UO2:  A Rigorous Test of Relativistic Quantum Chemistry Calculations by Han, Jiande, Kaledin, Leonid A, Goncharov, Vasiliy, Komissarov, Anatoly V, Heaven, Michael C

“…Accurate ionization potential (IP) measurements provide essential thermodynamic information and benchmark data that can be used to evaluate the validity of…”
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All-Atom Calculation of the Normal Modes of Bacteriorhodopsin Using a Sliding Block Iterative Diagonalization Method by Kaledin, Alexey L, Kaledin, Martina, Bowman, Joel M

“…Conventional normal-mode analysis of molecular vibrations requires computation and storage of the Hessian matrix. For a typical biological system such storage…”
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Partition functions of rare-earth halide plasmas by Holbrook, R, Kaledin, LA, Kunc, JA

“…The partition functions are calculated for gases consisting of Ln and [ital X] atoms and Ln[ital X] molecules and their singly charged ions (Ln[equivalent…”
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Electronic spectrum of NdO by Kaledin, L. A., Shenyavskaya, E. A., Kovács, I.

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An Accurate Theoretical Prediction of the Zero Point Vibrational Energy of CH5 by Kaledin, Alexey L, Kunikeev, Sharif D, Taylor, Howard S

“…A recently developed signal processing method has been applied to a time evolved Gaussian wave packet roughly corresponding to the ground vibrational state of…”
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Comparison of classical, new corrected-classical, and semiclassical IR spectra of non-rotating H2O with quantum calculations by Kaledin, Alexey L, Huang, Xinchuan, Bowman, Joel M

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Electronic spectrum of GdO by Dmitriev, Yu. N., Kaledin, L. A., Shenyavskaya, E. A., Gurvich, L. V.

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Electronic spectra of diatomic molecules containing f-elements: GdO, EuF and UO by Dmitriev, Yu. N., Kaledin, L. A., Kobyliansky, A. I., Kulikov, A. N., Shenyavskaya, E. A., Gurvich, L. V.

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