This study conducts a qualitative comparison between two methods for detecting side reactions - the voltage hold and decay using high precision coulometry (HPC) tester. The measurements were conducted with Si-G/NMC811 commercial cells three different temperatures four states of charge (SoC) in order to determine temperature dependency reactions. Here, we show that deliver comparable results whe...

The cumulative reaction probability ~CRP! has been calculated for the H21OH↔H2O1H in its full dimensionality by using the centrifugal sudden ~CS! approximation for J.0. The Boltzmann average of the CRP provides the most accurate thermal rate constant to date for the title reaction on the Walch, Dunning, Schatz, Elgersma ~WDSE! potential energy surface ~PES!. It is found that the theoretical rat...

Constant suction direct shear test enables the understanding of failure mechanism in rainfallinduced landslides. It can be conducted using a conventional apparatus with some modifications. The constant is carried out two stages. In first stage, unsaturated soil specimen consolidated to target net normal stress and matric then sheared second stage. Matric usually controlled axis-translation prin...

We performed a quasiclassical trajectory dynamics study on a model analytical 21-dimensional (7 active atoms) potential energy surface (PES) to examine in detail the mechanism of the hydrogen absorption in a simple (NaAlH(4))(2)Ti model system. The reaction involves a capture of H(2) by the Ti centre and formation of the (η(2)-H(2))Ti(NaAlH(3))(2) coordination complex containing the side-on bon...

N-alkoxyheterocycles can act as powerful one-electron acceptors in photochemical electron-transfer reactions. One-electron reduction of these species results in formation of a radical that undergoes N-O bond fragmentation to form an alkoxy radical and a neutral heterocycle. The kinetics of this N-O bond fragmentation reaction have been determined for a series of radicals with varying substituen...

̈ 1, 2 ́ 3 GYORGY G. FERENCZY, GABOR I. CSONKA, ́ ́ ́ 4 ́ ́ ́ 5 GABOR NARAY-SZABO, JANOS G. ANGYAN 1 Chemical Works of Gedeon Richter Ltd., P.O. Box 27, H-1475 Budapest, Hungary 2 Department of Chemical Information Technology, Technical University of Budapest, Szent Gellert ter ́ ́ 4, H-1111 Budapest, Hungary 3 Department of Inorganic Chemistry, Technical University of Budapest, H-1521 Budapest, Hungary ...

We present a kinetic analysis of the nonadiabatic decay mechanism of an excited state hydrated electron to the ground state. The theoretical treatment is based on a quantized, gap dependent golden rule rate constant formula which describes the nonadiabatic transition rate between two quantum states. The rate formula is expressed in terms of quantum time correlation functions of the energy gap a...