8 results on '"Semiempirical methods"'
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2. Molecular Modeling of Ammonium, Calcium, Sulfur, and Sodium Lignosulphonates in Acid and Basic Aqueous Environments
3. Simulating the conditions for the formation of graphene and graphene nanowalls by semiempirical quantum chemical methods
4. Heteroassociates of singly- and doubly-charged anions of alizarin red S with the pinacyanol cation
5. Donor-acceptor complexes of dipyrrolylmethenes with boron trifluoride as intermediates in the synthesis of Bodipy
6. A fast method of large-scale serial semiempirical calculations of docking complexes
7. New generation of semiempirical methods of molecular modeling based on the theory of group functions
8. A method and program for mass quantum chemical calculations of protein—ligand docking complexes
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