Quantum codes give counterexamples to the unique preimage conjecture of the N-representability problem

It is well known that the ground state energy of many-particle Hamiltonians involving only 2-body interactions can be obtained using constrained optimizations over density matrices which arise from reducing an N-particle state. While determining which 2-particle density matrices are "N-representable" is a computationally hard problem, all known extreme N-representable 2-particle reduced density matrices arise from a unique N-particle preimage, satisfying a conjecture established in 1972. We present explicit counterexamples to this conjecture through giving Hamiltonians with 2-body interactions which have degenerate ground states that cannot be distinguished by any 2-body operator. We relate the existence of such counterexamples to quantum error correction codes and topologically ordered spin systems.     

Controlled Zn‐Mediated Grafting of Thin Layers of Bipodal Diazonium Salt on Gold and Carbon Substrates

A controlled, rapid, and potentiostat‐free method has been developed for grafting the diazonium salt (3,5‐bis(4‐diazophenoxy)benzoic acid tetrafluoroborate (DCOOH)) on gold and carbon substrates, based on a Zn‐mediated chemical dediazonation. The highly stable thin layer organic platforms obtained were characterized by cyclic voltammetry, AFM, impedance, XP, and Raman spectroscopies. A dediazonation mechanism based on radical formation is proposed. Finally, DCOOH was proved as a linker to an aminated electroactive probe.     

Fe3O4 Nanoparticles as an Efficient and Magnetically Recoverable Catalyst for Friedel–Crafts Acylation Reaction in Solvent-Free Conditions

Application of Fe₃O₄ nanoparticles (NPs) as a robust, very efficient, and magnetically recoverable catalyst was investigated in Friedel–Crafts acylation (FCA) of ferrocene and aromatic compounds. This reaction was performed with acid chlorides in solvent-free conditions at room temperature. The catalyst was easily separated by an external magnetic field from the reaction mixture. The separated catalyst was recycled for several consecutive runs without appreciable loss of its catalytic activity.

Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications® to view the free supplemental file.     

Heat transfer analysis of energy and exergy improvement in water-tube boiler in steam generation process

Journal of Thermal Analysis and Calorimetry - Steam generation is an essential process in steel production. Saturated steam is used in the cold-rolling mills of sample steel company to raise the...     

DFT and MP2 Calculations on Tautomers and Water-Assisted Proton Transfer on 1,2,5-Oxadiazol-4,3-diamine

In this work a detailed quantum-chemical comparison of the relative stability of six tautomers of 1,2,5-oxadiazol-4,3-diamine studied in the gas phase and solution. Theoretical calculations are carried out by the density functional theory (DFT/B3LYP) and MP2 methods using the standard 311++G(d,p) basis set. The results indicate that A is the most stable form in the gas phase and also is the predominant tautomer in solution at the DFT and MP2 methods. The transition states of proton transfer reaction are calculated. The variation of dipole moments and charges on atoms are studied in various solvent. Specific solvent effects with addition of one water molecule near the electrophilic centers of tautomer investigated. Also the transition state of proton transfer assisted by a water molecule was investigated.