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On the temperature dependence of the rate coefficient of formation of C2+ from C + CH+
(2016-06-24)
[EN] We carry out quasi-classical trajectory caculations for theC + CH+ → C2+ + H reaction on an ad hoc computed high-level ab initio potential energy surface. Thermal rate coefficients at the temperatures of relevance in ...
The equilibrium molecular structures of 2-deoxyribose and fructose by the semiexperimental mixed estimation method and coupled-cluster computations
(Royal Society of Chemistry, 2016-06-21)
Fructose and deoxyribose (24 and 19 atoms, respectively) are too large for determining accurate equilibrium structures, either by high-level ab initio methods or by experiments alone. We show in this work that the ...
Real-Time Dynamics in U(1) Lattice Gauge Theories with Tensor Networks
(American Physical Society, 2016-03-03)
Tensor network algorithms provide a suitable route for tackling real-time-dependent problems in lattice gauge theories, enabling the investigation of out-of-equilibrium dynamics. We analyze a U(1) lattice gauge theory in ...
Naphthyl-Containing Organophosphonate Derivatives of Keggin-Type Polyoxotungstates
(MDPI, 2016-06)
New organophosphonate derivatives of monovacant Keggin-type polyoxotungstates that contain naphthyl groups have been synthesized and characterized in both solid state and solution. Single-crystal structural analysis shows ...
Artificial Life in Quantum Technologies
(Nature Publishing, 2016-02-08)
We develop a quantum information protocol that models the biological behaviours of individuals living in a natural selection scenario. The artificially engineered evolution of the quantum living units shows the fundamental ...
Formation of a Nonlinear Optical Host–Guest Hybrid Material by Tight Confinement of LDS 722 into Aluminophosphate 1D Nanochannels
(Wiley, 2016-09-15)
In this work, hemicyanine dye LDS 722, is encapsulated into the 1-D elliptical nano-channels of MgAPO-11 aluminophosphate by crystallization inclusion method. The synthesis of the hybrid material has been optimized through ...