بدائل البحث:
significant based » significant cause (توسيع البحث), significant barrier (توسيع البحث), significant burden (توسيع البحث)
side decrease » sizes decrease (توسيع البحث), fid decreased (توسيع البحث), we decrease (توسيع البحث)
step decrease » sizes decrease (توسيع البحث), teer decrease (توسيع البحث), we decrease (توسيع البحث)
basis » basic (توسيع البحث)
significant based » significant cause (توسيع البحث), significant barrier (توسيع البحث), significant burden (توسيع البحث)
side decrease » sizes decrease (توسيع البحث), fid decreased (توسيع البحث), we decrease (توسيع البحث)
step decrease » sizes decrease (توسيع البحث), teer decrease (توسيع البحث), we decrease (توسيع البحث)
basis » basic (توسيع البحث)
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Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections
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. …"
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94
Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers
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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95
Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers
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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96
Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers
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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97
Side-Chain Engineering for Modulating the Mechanical and Thermosalient Behavior of Elastic Crystals of Triple-Helix Coordination Polymers
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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