Molecular Physics Phase diagram of NaCl–water by computer simulations: performance of non-polarizable force-fields. By , 6 months ago
Molecular Physics A computational study of possible mechanisms of singlet oxygen generation in miniSOG photoactive protein. By , 6 months ago
Molecular Physics QSPR prediction of the acidities of carboxylic acids and phenols with different approaches. By , 6 months ago
Molecular Physics Dimers between the hydrides LiH, BeH2, BH3, CH4, NH3, H2O and HF. By , 6 months ago
Molecular Physics Estimating vertical core-excitation energies from Møller–Plesset theory with spin projection. By , 6 months ago
Molecular Physics The presence of triple degeneracy in molecular potential energy surfaces can now be modelled using newly found analytical function. By F. George D Xavier Department of Chemistry, University of Coimbra, Coimbra, Portugal, 6 months ago
Molecular Physics Self-assembly of single species polygons with patchy models in 2D. By , 6 months ago
Molecular Physics Sensing characteristics of novel borospherenes towards sulfur-containing gases: electronic and work function-type sensor. By , 6 months ago
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