نتایج جستجو برای: water potential
تعداد نتایج: 1557943 فیلتر نتایج به سال:
in this research we have studied the effect of some transition-metals (cu, ag and au) substitutions on two-electron reduction potential of flavins by application of dft method. all geometries have been optimized at blyp level of theory and “6-31+g** + lanl2dz” mixed basis set. the frequency job at the same method and basis sets has been performed to obtain gibbs free energy of compounds. it h...
this study was conducted to quantify germination response of annual savory (satureja hortensis l.) to temperature and water potential. for this purpose, seeds were exposed to different temperature (12, 15, 20, 25, 30, 35, 37 and 40°c) and water potential (zero, -0.1, -0.3, -0.5 and -0.7 mpa) treatments in seed research lab., gorgan university of agricultural sciences and natural resources in 20...
A time-dependent wave packet method has been developed to study atom–triatom ABC1D→AB1CD reactions in full six dimensions ~6D!. The approach employs a body-fixed coupled angular momentum basis for three angular coordinates, and three 1D bases for three radial coordinates. It permits the calculation of diatom AB vibrational state resolved total reaction probability for an initial rovibrational s...
A time-dependent wave packet method has been employed to calculate the state-to-state reaction probability for the H1H2O~0,0,0!→H2~v1 , j1!1OH~v2 , j2! reaction for J50 and initial nonrotating H2O on the modified Schatz–Elgersman potential energy surface in full six dimensions ~6D!. Starting from a wave packet for an atom–triatom asymptotic state in atom–triatom Jacobi coordinates, we transfer ...
We have performed long molecular dynamics simulations of water using four popular water models, namely simple point charge ~SPC!, extended simple point charge ~SPC/E!, and the three point ~TIP3P! and four point ~TIP4P! transferable intermolecular potentials. System sizes of 216 and 820 molecules were used to study the dependence of properties on the system size. All systems were simulated at 30...
yield gap analysis provides an essential framework to prioritize research and policy efforts aimed at reducing yield constraints. to identify options for increasing chickpea yield, the ssm-chickpea model was parameterized and evaluated to analyze yield potentials, water limited yields and yield gaps for nine regions representing major chickpea-growing areas of razavi khorasan province. the aver...
On the basis of the perturbation expansion for electron gas energy in the third order to the electron-ion potential the pair and irreducible three-ion interaction potentials in metallic hydrogen are calculated. The irreducible potential of three-ion interaction has attractive nature at short interionic separation and oscillates at large ones. The anisotropic character of the three-ion interacti...
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