“…Genetic testing of hairs that were found in the second artifact, a framed photograph of Louise of Hesse-Kassel, Queen of Denmark and maternal grandmother of Tsar Nicholas II, revealed that the hair belonged to a woman who shared Tsar Nicholas’ maternal lineage, including the well-known point heteroplasmy at position 16169.…”
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“…Electronic structure calculations of the underlying potential energy surface (PES) and statistical Rice–Ramsperger–Kassel–Marcus (RRKM) calculations of product branching fractions on the derived PES for the addition pathway have been performed. …”
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“…A statistical Rice–Ramsperger–Kassel–Marcus model is employed to test the viability of this mechanism. …”
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“…Based on the Rice–Ramsperger–Kassel–Marcus (RRKM) theory and transition state theory, the temperature- and pressure-dependent rate constants for the relevant reactions on the PES were calculated by solving the master equation. …”
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“…Quantum chemical calculations were used to explore the potential energy surface of the reaction, after which Rice–Ramsperger–Kassel–Marcus theory/master equation simulations were performed to investigate the reaction. …”
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“…The dissociation rates as a function of internal energy are calculated by Rice–Ramsperger–Kassel–Marcus theory. Both single-well and multiple-well MEM approaches are used. …”
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“…This is the topic of chapter 3, by Christian Kassel. Nichols algebras, a special type of Hopf algebras, are the subject of chapter 4, by Nicolás Andruskiewitsch.   …”
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“…Part one of this two-part report describes how Rice–Ramsperger–Kassel–Marcus (RRKM) theory predicts that many branching ratios in replicate electron–ionization mass spectra will provide approximately linear correlations when analysis conditions change within or between instruments. …”
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“…For this purpose, serial in vivo measurements were undertaken using a miniaturized scanner system that relies on reflection spectroscopy (Opsolution GmbH, Kassel, Germany). In a first trial, repeated measurements of dermal carotenoid concentrations were performed on the udder skin of healthy non-lactating cattle (n = 6) for one month in weekly intervals. …”
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“…The kinetics of the reaction with multiple channels have been studied by applying variational transition-state theory (VTST) and Rice–Ramsperger–Kassel–Marcus (RRKM) theory over wide temperature and pressure ranges (T = 220–3000 K; P = 1 × 10(−4)–100 bar). …”
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“…The rate constants have been calculated at 10(–10) to 10(10) atm and 200–3,000 K by Rice–Ramsperger–Kassel–Marcus (RRKM) theory for the important product pathways. …”
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“…Temperature- and pressure-dependent rate constants were performed based on the transition state theory, associated with the Rice Ramsperger Kassel Marcus and master equation theories. Temperature-dependent thermochemistry (enthalpies of formation, entropy, and heat capacity) of all major species was also conducted, based on the statistical thermodynamics. …”
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“…[Image: see text] Gas-phase mechanism and kinetics of the formation and decomposition reactions of the C(4)H(3)O compound, a crucial intermediate of the atmospheric and combustion chemistry, were investigated using ab initio molecular orbital theory and the very expensive coupled-cluster CCSD(T)/CBS(T,Q,5)//B3LYP/6-311++G(3df,2p) method together with transition state theory and Rice–Ramsperger–Kassel–Macus kinetic predictions. The potential energy surface established shows that the C(3)H(3) + CO addition reaction has four main entrances in which C(3)H(3) + CO → IS1-cis (CHCCH(2)CO) is the most energetically favorable channel. …”
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“…Rate constants and activation energies for the decomposition of 1-EisoQ, 2-EQ, 3-EQ, 3-EisoQ, 4-EQ, 4-EisoQ, 5-EQ, 5-EisoQ, 8-EQ, and 8-EisoQ have been estimated at different temperatures and pressures using conventional transition state theory combined with Eckart tunneling and the unimolecular statistical Rice–Ramsperger–Kassel–Marcus theories. The tunneling correction is significant at temperatures up to 1000 K. …”
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“…Therefore, in this study, the potential energy surfaces for (•)CH(2)NH(2) + O(2) (+NH(3)/H(2)O) were constructed using ab initio//DFT, i.e., coupled-cluster theory (CCSD(T))//hybrid-density functional theory, i.e., M06-2X with the 6-311++G (3df, 3pd) basis set. The Rice−Ramsperger−Kassel−Marcus (RRKM)/master equation (ME) simulation with Eckart’s asymmetric tunneling was used to calculate the rate coefficients and branching fractions relevant to the troposphere. …”
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“…The temperature-and pressure-dependent rate constants were calculated using variational transition state theory (VTST), microcanonical variational transition state theory [Formula: see text] and Rice–Ramsperger–Kassel–Marcus/master equation (RRKM/ME) simulations. …”
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“…Additionally, fresh and cooked meat sensory analysis was performed on meat from broilers and male and female Lohmann Dual and Lohmann Brown Plus chickens (for three carcasses of each group) at the German Agricultural Society Test Center in Kassel. The focus was on the performance of male Lohmann Dual compared to the other lines. …”
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