Abinitio studies on structures and proton affinities of fluorométhanols
نویسندگان
چکیده
منابع مشابه
postnatal studies of bats (pipistrellus kuhlii and miniopterus schreibersii) & histomorphology and histochemistry studies of organs and diseases of (neurergus microspilotus and n. kaiseri)
1. to determine whether difference in birth body mass influenced growth performance in pipistrellus kuhlii we studied a total of 12 captive-born neonates. bats were assigned to two body mass groups: light birth body mass (lbw: 0.89 ± 0.05, n=8) and heavy birth body mass (hbw: 1.35 ± 0.08, n=4). heavier body mass at birth was associated with rapid postnatal growth (body mass and forearm length) ...
Structural Investigation, Proton and Electron Affinities, Gas Phase Basicities, and Ionization Energies of Captopril
Captopril is one of the most significant angiotensin-converting enzyme inhibitors. In spite of numerous experimental and computational studies on its properties, not enough geometrical and thermodynamic data is available on this compound. So, this study aimed to investigate the structural properties and assignment of possible conformers of captopril in the gas-phase. To this end, 1152 unique tr...
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A systematic study has been performed of the proton affinity of a large family of agonists and antagonists of the α1-adrenoceptor at the B3LYP/6-31G* level of theory. After a conformational search, all the N atoms were considered as protonation sites and protonation energy values were determined. The inclusion of solvation by means of the Onsager model yielded stabilization in the proton affini...
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این مطالعه در سال 1386-87 در آزمایشگاه و مزرعه پژوهشی دانشگاه صنعتی اصفهان به منظور تعیین مناسب ترین تیمار بذری و ارزیابی اثر پرایمینگ بر روی سه رقم گلرنگ تحت سه رژیم آبیاری انجام گرفت. برخی از مطالعات اثرات سودمند پرایمینگ بذر را بر روی گیاهان مختلف بررسی کرده اند اما در حال حاضر اطلاعات کمی در مورد خصوصیات مربوط به جوانه زنی، مراحل نموی، عملکرد و خصوصیات کمی و کیفی بذور تیمار شده ژنوتیپ های م...
Correlated proton motion in hydrogen bonded systems: tuning proton affinities.
The theorem of matching proton affinities (PA) has been widely used in the analysis of hydrogen bonds. However, most experimental and theoretical investigations have to cope with the problem that the variation of the PA of one partner in the hydrogen bond severely affects the properties of the interface between both molecules. The B3LYP/d95+(d,p) analysis of two hydrogen bonds coupled by a 5-me...
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ژورنال
عنوان ژورنال: Canadian Journal of Chemistry
سال: 1985
ISSN: 0008-4042,1480-3291
DOI: 10.1139/v85-329