Results 71 to 80 of about 1,008,154 (91)
A Unified Theory of Chemical Reactions [PDF]
arXiv, 2014 We propose a new and general formalism for elementary chemical reactions where quantum electronic variables are used as reaction coordinates. This formalism is in principle applicable to all kinds of chemical reactions ionic or covalent. Our theory reveals the existence of an intermediate situation between ionic and covalent which may be almost ...
arxiv
About the First Layer Effect in Surface Enhanced Spectroscopy [PDF]
arXiv, 2014 It is demonstrated that there is no chemical enhancement in Surface Enhanced spectroscopy, but the enhancement is of a pure electrodynamical nature.
arxiv
The photochemistry of Rydberg-excited cyclobutanone: Photoinduced processes and ground state dynamics [PDF]
Owing to ring strain, cyclic ketones exhibit complex excited state dynamics with multiple competing photochemical channels active on the ultrafast timescale. While the excited state dynamics of cyclobutanone after π* ← n excitation into the lowest-energy
Eng J, Penfold TJ, Rankine CD
core
Tetrahedral Units: For Dodecahedral Super-Structures [PDF]
arXiv, 2016 Different novel organic-chemical possibilities for tetrahedral building units are considered, with attention to their utility in constructing different super-structures. As a representative construction we consider the use of sets of 20 such identical tetrahedral units to form a super-dodecahedron.
arxiv
The Diagnostics of the Chemical Reaction Zone at the Detonation of Condensed Explosives [PDF]
arXiv, 2016 The highly-sensitive method is proposed for the real-time diagnostics of the von Neumann peak at detonation of brisant high explosives. The absence of the direct link between the pressure and the course of chemical reactions was shown. For TNT (trinitrotoluene), the influence of the structure of charge on the kinetics of chemical peak was demonstrated.
arxiv
Dynamics of Chemical Reactions: Open Equilibrium [PDF]
arXiv, 2000 Dynamic properties of chemical reactions and appropriate relationships for open chemical equilibrium are discussed in approach of the chemical dynamics. New way to calculate composition of chemical systems in open equilibrium, based on the amended equation for the change of Gibbs' free energy, was exemplified using reactions of cobalt double oxides ...
arxiv
We introduce an electron-photon exchange-correlation functional for quantum electrodynamical density-functional theory (QEDFT). The approach, photon MBD (pMBD), is inspired by the many-body dispersion (MBD) method for weak intermolecular interactions ...
Cunha, Leonardo A. +2 more
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Biotechnology and Bioengineering, 2023
A physics‐based model for predicting cell culture fluid properties inside a stirred tank bioreactor with embedded PID controller logic is presented.
Christopher L Oliveira +6 more
semanticscholar +1 more source
A physics‐based model for predicting cell culture fluid properties inside a stirred tank bioreactor with embedded PID controller logic is presented.
Christopher L Oliveira +6 more
semanticscholar +1 more source
CONFERENCE 2023, 2023
A physics-based model has been developed to improve the fundamental understanding of the active chemistry of metal and alloy surfaces that are exposed during aggressive pitting or the growth of an environmentally assisted crack in media containing ...
Christopher D Taylor
semanticscholar +1 more source
A physics-based model has been developed to improve the fundamental understanding of the active chemistry of metal and alloy surfaces that are exposed during aggressive pitting or the growth of an environmentally assisted crack in media containing ...
Christopher D Taylor
semanticscholar +1 more source
Advances in materials Research, 2022
An eco-friendly and low cost modified mixture of both Wild Carob and Cupressus sempervirens with H3PO4 (Cupcar-H3PO4) was prepared to extract a cationic dye (Crystal Violet) from an aqueous solution in a batch reactor at the laboratory of chemical ...
Aga Sarra +4 more
semanticscholar +1 more source
An eco-friendly and low cost modified mixture of both Wild Carob and Cupressus sempervirens with H3PO4 (Cupcar-H3PO4) was prepared to extract a cationic dye (Crystal Violet) from an aqueous solution in a batch reactor at the laboratory of chemical ...
Aga Sarra +4 more
semanticscholar +1 more source