يعرض 81 - 100 نتائج من 10,353 نتيجة بحث عن '(( significant based basis ) OR ( significant ((side decrease) OR (step decrease)) ))', وقت الاستعلام: 0.57s تنقيح النتائج
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    Influential factor significance ranking. حسب Lei Wang (6656)

    منشور في 2024
    الموضوعات:
  10. 90
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  13. 93

    Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections حسب Dávid Mester (6983864)

    منشور في 2024
    "…The efficiency of the DBBSC-LNO-CCSD(T) method is demonstrated through representative examples of up to 1000 atoms. Based on the numerical results, we conclude that the corrections drastically reduce the BSI error using double-ζ basis sets, often to below 1 kcal/mol compared to the reliable LNO-CCSD(T) complete basis set references, while significant improvements are also achieved with triple-ζ basis sets. …"
  14. 94

    Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers حسب Shu-Wen An (7450172)

    منشور في 2024
    "…Potential energy surface analysis and variable-temperature single-crystal X-ray diffraction analysis are used to figure out the effect of side-chain groups on their mechanically responsive and thermosalient properties, which demonstrate that the regulation of side-chain groups from <b>phen</b> to <b>bpy</b> and then to <b>dmbpy</b> in these triple-helix CPs can lead to a gradual decrease in interchain π–π interactions but an increase in the steric hindrance and subsequently exert a significant influence on the apparent mechanical properties and thermosalient behaviors.…"
  15. 95

    Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers حسب Shu-Wen An (7450172)

    منشور في 2024
    "…Potential energy surface analysis and variable-temperature single-crystal X-ray diffraction analysis are used to figure out the effect of side-chain groups on their mechanically responsive and thermosalient properties, which demonstrate that the regulation of side-chain groups from <b>phen</b> to <b>bpy</b> and then to <b>dmbpy</b> in these triple-helix CPs can lead to a gradual decrease in interchain π–π interactions but an increase in the steric hindrance and subsequently exert a significant influence on the apparent mechanical properties and thermosalient behaviors.…"
  16. 96

    Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers حسب Shu-Wen An (7450172)

    منشور في 2024
    "…Potential energy surface analysis and variable-temperature single-crystal X-ray diffraction analysis are used to figure out the effect of side-chain groups on their mechanically responsive and thermosalient properties, which demonstrate that the regulation of side-chain groups from <b>phen</b> to <b>bpy</b> and then to <b>dmbpy</b> in these triple-helix CPs can lead to a gradual decrease in interchain π–π interactions but an increase in the steric hindrance and subsequently exert a significant influence on the apparent mechanical properties and thermosalient behaviors.…"
  17. 97

    Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers حسب Shu-Wen An (7450172)

    منشور في 2024
    "…Potential energy surface analysis and variable-temperature single-crystal X-ray diffraction analysis are used to figure out the effect of side-chain groups on their mechanically responsive and thermosalient properties, which demonstrate that the regulation of side-chain groups from <b>phen</b> to <b>bpy</b> and then to <b>dmbpy</b> in these triple-helix CPs can lead to a gradual decrease in interchain π–π interactions but an increase in the steric hindrance and subsequently exert a significant influence on the apparent mechanical properties and thermosalient behaviors.…"
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