MOLECULAR STRUCTURE Investigation of hydrogen bond structure in benzoic acid solutionsJournal, Elsevier
Investigation of hydrogen bond structure in benzoic acid solutions liquid structurenuclear magnetic resonanceorganic compounds/ H bond structurebenzoic acid solutions13C chemical shiftsnonpolar benzenesolvents... P Novak,D. Viki-Topi,Z. Mei,... - 《Journal of Molecular Structure》 被引量: 45发表: ...
molecules are encapsulated by the highly versatile hydrogen-bonded frameworks of guanidinium (G) and organosulfonate (S) ions in a single-step crystallization, in the absence of specific interactions and in stoichiometric amounts, enabling facile determination of molecular structure and absolute ...
The synthesis, molecular structure and chemical behavior of two chloride-dimethyl sulfoxide-ruthenium (III) derivatives, namely [(DMSO) 2 H][trans-Ru(DMSO) 2 Cl 4 ] (1) and mer-Ru(DMSO) 3 Cl 3 (2), are reported. They represent the first examples of fully characterized halogen-dimethyl...
The structures were solved by application of a direct space structure solution approach using the Monte Carlo method and confirmed by Rietveld refinement. In the sulfonamide, the molecules are linked by N-H…O hydrogen bonds into two-dimensional sheets built from alternating eight and twenty-...
Generative chemical language models (CLMs) can be used for de novo molecular structure generation by learning from a textual representation of molecules. Here, we show that hybrid CLMs can additionally leverage the bioactivity information available for t
Molecular dynamics (MD) simulations are used to study the interlayer structure, hydrogen bonding, and energetics of hydration of Mg/Al (2:1 and 4:1) layered double hydroxide (LDH) or hydrotalcite (HT) intercalated with oxymetal anions, CrO42–, and VO43–. The ab initio forcefield COMPASS...
The novel feature of the structure is the manner in which the two chains are held together by the purine and pyrimidine bases. The planes of the bases are perpendicular to the fibre axis. They are joined together in pairs, a single base from one chain being hydrogen~bonded to a single ba...
In his model the phosphates are on the outside and the bases on the inside, linked together by hydrogen bonds. This structure as described is rather ill-defined, and for this reason we shall not comment on it. ? We wish to put forward a radically different structure for the salt of ...
Photocatalytic production of hydrogen from biomass-derived feedstocks 2016, Coordination Chemistry Reviews Show abstract Semiconductor-mediated photocatalysis for organic synthesis 1997, Studies in Surface Science and Catalysis Show abstract Effect of calcination temperature on the structure of a Pt/TiO<inf>2...