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Transition state

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  • The partitioned survival model (PSM) and the state transition model (STM) are widely used in costeffectiveness analyses of anticancer drugs. Using different modeling approaches with or without consideration of brain metastasis, we compared the quality-adjusted life-year (QALY) estimates of Osimertinib and pemetrexedplatinum in advanced non-small cell lung cancer with epidermal growth factor receptor mutations.

    pdf11p vikoch 27-06-2024 1 1   Download

  • Effect of substituent (Y), including halogen (F and Cl), electron donating (ED) and electron withdrawing (EW) group on the thermoparameters and kinetic behavior of reactions between 4Y-ArNH2 and CH3OO was computationally studied using density functional theory (DFT) at M05-2X/6-311++G(d,p) method in combination with the transition state theory (TST) in Eyringpy program.

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  • The derived temperature dependences of the peak intensities, separations and half-widths of the separate spectral peaks in the A-band phonon progressions indicate the different trends for vibration-free zero-phonon electronic transition and vibration-related lower-energy electronic transitions to high vibrational levels of the ground electronic state – lower thermal damping and more softened phonon for the zero-phonon transition, also implying the extended defect origin of the A-band photoluminescence.

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  • This article presents computational insights into the geometric and electronic structures of NbSi4 −/0 clusters using density functional theory and the CASSCF/CASPT2 method. The anionic and neutral ground states are identified as the 1A′ and 2A′ states, respectively, within a trigonal bipyramidal isomer where the Nb atom occupies the equatorial position. The adiabatic detachment energy for the transition from the anionic ground state 1A′ to the neutral ground state 2A′ is estimated to be 2.30 eV.

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  • Ebook "Cell polarity 2: Role in development and disease" provides a state-of-the art overview on the most relevant aspects of cell polarity. Volume 2 discusses the physiological and pathophysiological relevance of cell polarity. It especially focuses on pathophysiological conditions in which one or several aspects of cell polarity are impaired, and in which a loss of cell polarity possibly contributes to disease (e.g. epithelial-to-mesenchymal transition in cancer, role of polarity proteins in cancer).

    pdf228p ladongphongthanh1008 22-04-2024 2 1   Download

  • Ebook "Electron correlation in metals" discusses the following issues: enhancements of electronic specific heat and magnetic susceptibility, effects of electron correlation on transport phenomena such as electric resistivity and Hall coefficient, magnetism, Mott transition and unconventional superconductivity. These originate commonly from the Coulomb repulsion between electrons. In particular, superconductivity in strongly correlated electron systems is discussed with a unified point of view.

    pdf257p tracanhphuonghoa1007 22-04-2024 10 2   Download

  • Ebook "Nanomaterials for fuel cell catalysis" provide an authoritative source of information on the use of electrochemical fuel cells, and in particular discuss the use of nanomaterials to enhance the performance of existing energy systems. The book covers the state of the art in the design, preparation, and engineering of nanoscale functional materials as effective catalysts for fuel cell chemistry, highlights recent progress in electrocatalysis at both fuel cell anode and cathode, and details perspectives and challenges in future research.

    pdf583p tracanhphuonghoa1007 22-04-2024 6 3   Download

  • Journal of Finance & Accounting research - No. 03 (22) - 2023 includes papers: Blockchain in tax management: A paradigm shift in transparency and efficiency; Just energy transition partnership and policy implications for Vietnam; State management of poverty reduction for ethnic minorities in the mountainous area in Khanh Hoa; Improving the quality of Vietnam's accounting - Audit human resources in the context of the international economy;...

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  • Part 1 book "Quantum physics" by author Robert Eisberg includes content: Thermal radiation and Planck's postulate; photons — particlelike properties of radiation; de Broglie's postulate — wavelike properties of particles; Bohr's model of the atom; Schrödinger's theory of quantum mechanics; solutions of time independent Schrödinger equations; one electron atoms; magnetic dipole moments, spin, and transition rates; multielectron atoms — ground states and x-ray excitations.

    pdf364p muasambanhan10 06-04-2024 2 0   Download

  • Ebook "Continuous-flow chemistry in the research laboratory: Modern organic chemistry in dedicated reactors at the dawn of the 21st century" presents a short introduction to the historical background to the field, the state of the art and a brief survey of the available instrumentation and the processing techniques used. The following major areas of interest in synthetic, organic and medicinal chemistry are elaborated on: transition-metal catalyzed reactions, organocatalytic transformations, heterocyclic synthesis, and photochemical reactions.

    pdf119p tudohanhtau1006 29-03-2024 6 1   Download

  • Ebook "Phosphorus chemistry I: Asymmetric synthesis and bioactive compounds" are dedicated to various topics in organophosphorus chemistry. The first volume concerns biologically-related topics (phosphinopeptides, phosphinic acids, prodrugs) as well as P-asymmetric compounds (also called P-stereogenic, P-chiral, etc. – there is still some intense discussion about how to name this field!).

    pdf250p tudohanhtau1006 29-03-2024 7 1   Download

  • Ebook "Exotic properties of carbon nanomatter: Advances in physics and chemistry" reports the state-of-the-art advancements in modeling and characterization of fundamental and the recently designed carbon based nanocomposites (graphenes, fullerenes, polymers, crystals and allotropic forms). Written by leading experts in the field, the book explores the quantification, indexing, and interpretation of physical and chemical exotic properties related with space-time structure-evolution, phase transitions, chemical reactivity, and topology.

    pdf400p tudohanhtau1006 29-03-2024 6 1   Download

  • Ebook "Far-field optical nanoscopy (Springer series on Fluorescence: Methods and applications, Volume 14)" discusses the initial and more recent concepts that can provide far-field optical resolution down to the molecular scale. It is shown that all concepts reported to date exploit a transition between a bright and a dark state to switch fluorescence such that adjacent objects or molecules emit sequentially in time. Some of these concepts can be extended to signal-giving mechanisms other than fluorescence.

    pdf340p tudohanhtau1006 29-03-2024 2 1   Download

  • Ebook "Iron catalysis II (Topics in Organometallic chemistry, Volume 50)" outlines new avenues for the production of a variety of organic compounds under iron catalysis. Challenges still remain. Iron complexes exhibit a number of features that are not prevalent for other transition metals. Iron is stable in a variety of oxidation states, with +2 and +3 being probably the most prevalent ones for precatalysts.

    pdf367p tudohanhtau1006 29-03-2024 5 1   Download

  • Ebook "The non-ergodic nature of internal conversion: An experimental and theoretical approach" investigates the transitions from one electronically excited state to another. Such processes - the fastest of events in chemistry - can be studied with femtosecond resolution, and Thomas S. Kuhlman approaches the question both with experimental and theoretical methods. His approach contributes to explain processes of high importance to all scientific fields concerned with the interaction between light and matter: the deactivation of the electronically excited states after excitation.

    pdf137p coduathanh1122 27-03-2024 6 1   Download

  • The challenge of trying to meet with the customers’ needs in terms of quality and quantity within best price practices (marginal profit) remains a vital part of decision making in all producing firms (manufacturing, service rendering companies, etc.). This research is born out of a concern for such challenges.

    pdf9p longtimenosee04 06-03-2024 7 1   Download

  • Ebook "Ultraviolet and X-ray spectroscopy of the solar atmosphere" give us information about temperatures, densities, flow velocities, filling factors (indicating to what extent features are being spatially resolved), thermal structure, element abundances, ionization state of solar plasmas in the outer parts of the solar atmosphere: the chromosphere, the corona and the enigmatic transition region. They also allow insight into all phenomena in the solar atmosphere, e.g. flares, jets, and prominences.

    pdf390p duongthandue0501 28-02-2024 1 1   Download

  • Recent studies using single-cell transcriptomic analysis have reported several distinct clusters of neo‑ plastic epithelial cells and cancer-associated fibroblasts in the pancreatic cancer tumor microenvironment. However, their molecular characteristics and biological significance have not been clearly elucidated due to intra- and intertumoral heterogeneity.

    pdf18p vicwell 29-02-2024 3 1   Download

  • In ebook "Mössbauer spectroscopy and transition metal chemistry: Fundamentals and applications" the first part details the fundamentals of Mössbauer spectroscopy and is based on a book published in 1978 in the Springer series 'Inorganic Chemistry Concepts' by P. Gütlich, R. Link and A.X. Trautwein. The second part covers useful practical aspects of measurements, and the application of the techniques to many problems of materials characterization.

    pdf581p manmanthanhla0201 26-02-2024 2 1   Download

  • Ebook "Olefin upgrading catalysis by nitrogen-based metal complexes II: State-of-the-art and perspectives" provides a critical review of the state-of-the-art developments in industrially relevant processes connected to efficient and selective olefin upgrading. Specific attention is devoted to catalysts containing imine- and amine-based ligands.

    pdf272p manmanthanhla0201 26-02-2024 2 1   Download

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