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Mg2+/Ca2+ binding to DNA bases: a quantum chemical method and ABEEMrp/MM fluctuating charge model study
关键字：DNA base,Metal cation,Quantum chemical method,ABEEMrp/MM,Polarizable force field
The interactions of Mg2+ and Ca2+ binding to adenine, cytosine, guanine, and thymine at various binding sites were studied by a high-level quantum chemical method and ABEEMrp/MM fluctuating charge model. The geometries and binding energies of M2+-bases complexes were determined at CCSD(T)/6-311++G(2d,2p)//MP2/6-311++G(2d,2p) level of theory, with the basis set&nb...
http://www.polymer.cn/research/sy_info17684 |
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Experimental study of the assembly of lamellar Mg(OH)2 nanocrystals on modified cellulose membrane in a static electric field
关键字：magnesium hydroxide, static electric field, in-situ crystallization, cellulose membrane
Under action of a static electric field the assembly of lamellar Mg(OH)2 nano-crystals on modified cellulose membrane was studied. Lamellar Mg(OH)2 crystals continuously grew on the modified cellulose membrane by in-situ crystallization. Th...
http://www.polymer.cn/research/dis_info11741 |
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Numerical Simulation of Temperature Field in Barrel of Injection Molding Machine during Induction Heating Process Based on ANSYS Software
关键字：injection molding machine; induction heating; ANSYS; numerical simulation
A finite element model of temperature field coupled with electromagnetic field has beenestablished based on induction heating theory including Maxwell’s equations, thermal conductivitydifferential equation and magnetic vector potential to simulate t...
http://www.polymer.cn/research/dis_info11184 |
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Effects of Asymmetric Interaction Energies on the Micro-phase Separation Behavior of H-shaped (AC)B(CA) Ternary Block Copolymer Systems: A Real Space Self-Consistent Field Theory Study
Effects of Asymmetric Interaction Energies on the Micro-phase Separation Behavior of H-shaped (AC)B(CA) Ternary Block Copolymer Systems: A Real Space Self-Consistent Field Theory Study
http://www.polymer.cnt//ss/sunzhaoyan/publicationsshow_4534.html |
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