نتایج جستجو برای: iridatropylium cation
تعداد نتایج: 55682 فیلتر نتایج به سال:
A C102H30 graphene sheet has been rolled up to construct Single-Walled Carbon NanoTube Fragments (SWCNTFs) as parts of armchair carbon nanotubes by computational quantum chemistry methods. Non-covalent cation-π interactions of the Na+ cation on the central rings of SWCNTFs have investigated. The binding energies of the Na+-SWCNTF complexes versus ...
Field capacity (FC) and permanent wilting point (PWP) are important factors affecting irrigation scheduling and field management. FC and PWP can be estimated from some of the soil physical and chemical properties. Pressure Plate apparatus is usually used for determination of FC and PWP, but this is a time-consuming and laborious procedure besides, the apparatus may not be available in many labo...
Field capacity (FC) and permanent wilting point (PWP) are important factors affecting irrigation scheduling and field management. FC and PWP can be estimated from some of the soil physical and chemical properties. Pressure Plate apparatus is usually used for determination of FC and PWP, but this is a time-consuming and laborious procedure besides, the apparatus may not be available in many labo...
Biological structures are stabilized by a variety of noncovalent interactions, such as hydrogen bonds, π –stacking, salt bridges or hydrophobic interactions. Besides hydrogen bonds and π– stacking, cation–π interactions between aromatic rings and positively charged groups have emerged as one of the most important interactions in structural biology. Although the role and energetic characteristic...
We have investigated the structure, interaction energy, electronic properties, and IR spectra of the ammonia-water cation (NH(3)H(2)O)(+) using density functional theory (DFT) and high-level ab initio theory. The ammonia-water cation has three minimum-energy structures of (a) H(2)NH(+)...OH(2), (b) H(3)N(+)...OH(2), and (c) H(3)NH(+)...OH. The lowest-energy structure is (a), followed by (c) and...
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