the coherent anomaly method and a cluster mean-field approach combined with finite-sizescaling extrapolation were used to determine the critical temperature and the critical exponents of as =1 ising chain with a long-range interaction in the form of 1/ r1+σ . the results of criticaltemperature are in good agreement with the recent results of the finite-range scaling method and aremore accurate ...

A Deep Neural Network (DNN) is used to estimate the Advanced Scatterometer (ASCAT) C-band microwave normalized backscatter (σ40o), slope (σ′) and curvature (σ″) over France. The Interactions between Soil, Biosphere Atmosphere (ISBA) land surface model (LSM) produce variables (LSVs) that are input DNN. DNN trained simulate σ40o, σ′ σ″ from 2007 2016. predictive skill of evaluated during an indep...

Cation-pi bonds and amino-aromatic interactions are known to be important contributors to protein architecture and stability, and their role in ligand-protein interactions has also been reported. Many biologically active amines contain substituted ammonium moieties, and cation-pi bonding and amino-aromatic interactions often enable these molecules to associate with proteins. The role of organic...

The structurally intriguing [4]and [5]triangulanes have been prepared in enantiomerically pure form. Their surprisingly high specific rotations are well reproduced by DFT/SCI computations and stem from the fact that these hydrocarbons essentially are σ-helicenes (i.e., rigidly held helical arrangements of σ-bonds). Some light is shed on the properties of radical cations derived from [3]and [4]r...

BACKGROUND Among the 20 natural amino acids histidine is the most active and versatile member that plays the multiple roles in protein interactions, often the key residue in enzyme catalytic reactions. A theoretical and comprehensive study on the structural features and interaction properties of histidine is certainly helpful. RESULTS Four interaction types of histidine are quantitatively cal...

The mol-ecular and crystal structure of the l-proline-derived di-thio-carbamate-carboxyl-ate compound poly[tri-μ-aqua-(μ-2-carboxyl-atopyrrolidine-1-carbodi-thio-ato)dipotassium], [K2(C6H7NO2S2)(H2O)3] n or K2(SSC-NC4H7-COO)·3H2O, has been determined. The di-thio-carbamate moiety displays a unique coordination mode, comprising a 'side-on' π-coordinated K+ cation besides a commonly σ-chelated K+...