Results 81 to 90 of about 546,805 (215)
Clujul Medical, 2016 Background and aim Beta-adrenergic antagonists have been established as first line treatment in the medical management of hypertension, acute coronary syndrome and other cardiovascular diseases, as well as for the prevention of initial episodes of ...
Mona Talmaciu, E. Bodoki, R. Oprean
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Quantum Indistinguishability in Chemical Reactions [PDF]
, 2017 Quantum indistinguishability plays a crucial role in many low-energy physical phenomena, from quantum fluids to molecular spectroscopy. It is, however, typically ignored in most high temperature processes, particularly for ionic coordinates, implicitly ...
Fisher, Matthew P. A., Radzihovsky, Leo
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Rotation in attosecond vibronic coherence spectroscopy for molecules
Communications PhysicsExcitation or ionization of a molecule by ultrafast laser pulses can create a superposition of electronic states, whose dynamics is influenced by the interplay of electronic coherence and nuclear motion, resulting in charge migration and possibly charge ...
Chi-Hong Yuen, Chii-Dong Lin
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Insights into enzymatic halogenation from computational studies [PDF]
, 2014 The halogenases are a group of enzymes that have only come to the fore over the last 10 years thanks to the discovery and characterization of several novel representatives.
Senn, Hans M.
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Physical Chemistry, Chemical Physics - PCCP, 2019 In this work, we report a systematic study on the global and local aromaticity of acenes using a series of model structures from 2-acene to 11-acene.
Donghai Yu +7 more
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The reaction of slag in cement: theory and computer modelling [PDF]
, 2006 In this study, theoretical models available for the reaction of both pure slag\ud (alkali-activated) and slag-blended cement are reviewed.
Brouwers, H.J.H., Chen, W.
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Exploration of Reaction Pathways and Chemical Transformation Networks
, 2018 For the investigation of chemical reaction networks, the identification of all relevant intermediates and elementary reactions is mandatory. Many algorithmic approaches exist that perform explorations efficiently and automatedly.
Reiher, Markus +2 more
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An Unstructured Mesh Convergent Reaction-Diffusion Master Equation for Reversible Reactions [PDF]
, 2018 The convergent reaction-diffusion master equation (CRDME) was recently developed to provide a lattice particle-based stochastic reaction-diffusion model that is a convergent approximation in the lattice spacing to an underlying spatially-continuous ...
Isaacson, Samuel A., Zhang, Ying
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Spectroscopic Properties and Computational Studies of Phosphosilicate-Doped Compounds Including (F, Cl, Br) [PDF]
Journal of Chemistry LettersIn this work, we added Cl, Br, and F atoms to the phosphate-silicate (PHS) molecule using the density functional theory (DFT) approach using a 6-31G basis set and the B3LYP level of theory.
Rebaz obaid kareem +3 more
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Local Isoelectronic Reactivity of Solid Surfaces
, 1996 The quantity w^N(r) = ( 1/ k^2 T_el)[partial n(r, T_el) / partial T_el]_(v(r),N) is introduced as a convenient measure of the local isoelectronic reactivity of surfaces.
A. Dal Pino, Jr. +31 more
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