we scanned the main-chain dihedrals of all protein units to cover a wide range of conformations and ran AIMD simulations with the 6-31g* basis set and the M06-2X functional13, as this functional models dispersion and weak interactions well and has been widely used for biomolecules14,15. W...
The electronic structure, structural stability, mechanical, phonon, and optical properties of Zr2GaC and Hf2GaC MAX phases have been investigated under high pressure using first-principles calculations. Formation enthalpy of competing phases, elastic constants, and phonon calculations revealed that both co...
974 103,612 32,098,627 5,617,075 13,318 963 26,153 48,120 9,500,215 13,042 4,536 31.12.2012 Taka 5,616,079,788 3,260,994,166 8,877,073,955 5,621,794,561 1,851,770,306 7,473,564,867 149,880 35,845 24,885 11,277 534 34,764 6,892 - 20,005,912 1,850 20,185...
The formation of PCs was highly exothermic, and their relative energies were close to the dissociated final products. For example, the relative energy of PC1 was −28.1 kcal/mol, which is close to P1 + H2O (∆rxn, 0KH◦ = −23.5 kcal/mol). As a result, they were kinetically ...
galaxies : open clusters and associationsstars : circumstellar matterstars : formationstars : pre-main-sequenceWe combine our previous optical spectroscopic ... A Hillenbrand,E Strom,N Calvet,... - 《Astronomical Journal》 被引量: 137发表: 2007年 The role of the GABRA2 polymorphism in multiplex...
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被引量: 974发表: 2000年 Oxidative Stress and the Molecular Biology of Antioxidant Defences ( 1997 ) Oxidative Stress and the Molecular Biology of Antioxidant Defenses . Cold Spring Harbor Laboratory Press, New York, USA.Scandalios J. 1997. Oxidative Stress and the Molecular Biology of Antioxidant...
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