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机译:
School of Chemistry, University of Hyderabad, Hyderabad 500 046, India;
机译:Self-consistent field theory and calculation for gyromonotron
机译:Linear-scaling self-consistent field theory based molecular dynamics: application to C-60 buckyballs colliding with graphite
机译:Assessment of density functional theory based Delta SCF (self-consistent field) and linear response methods for longest wavelength excited states of extended pi-conjugated molecular systems
机译:EXPERIMENTAL ANALYSIS AND MODELLING OF THE THERMOMECHANICAL BEHAVIOUR OF FIELD JOINT OF THERMALLY INSULATED PIPELINE
机译:Membrane Permeability Prediction of Drug-like Molecules with Molecular Dynamics and Free Energy Calculations =基于分子动力学和自由能计算 的药物分子膜渗透性预测
机译:ab initio molecular dynamics studies on the thermal properties of small silver clusters and the thermal decomposition channels of 5-nitro-2,4-dihydro-3H-1,2,4-triazol-3-one.