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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

Thermo chemical studies of interactions of ligands including mo and cr with A-Amino acids in active site of some enzymes structures     
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Devamını Göster
Özet
Ab initio calculations indicate that complexation of MoO2- 4 & CrO2-4 with glysine and alanine produced more stable compounds for molybdenum. The present studies show the ground state energies of molybdenum complexes are lower than chromium complexes in the same cases, also the values ΔH, ΔG, Kth, natural bond orbital (NBO) calculations and comparing of bond length are compatible with these results. Their structures hold tetrahedral geometry, the bond length of M -O bonds in chromium complexes is smaller than molybdenum complexes. The maximum multiple bonds of M-O exist in the order MoO2-4 & CrO2-4. Also the stabilities of these structures have the same ordering. So, considering the stabilities of these compounds depends on the further providing of the ability of oxygen- metal to form multiple bonds. All calculations have been done in gas phase. The calculations for C, H, N, O atoms have been performed by the standard 6-31G* Basis set and for Cr,Mo standard LANL2DZ basis sets have been considered. All system have been optimized at Hartree Fock ( HF ) and Density Functional Theory (DFT ) by the GAUSSIAN 98. © Research India Publications.
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı International Journal of Applied Chemistry
Dergi ISSN 0973-1792 Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce
Basım Tarihi 12-2008
Cilt No 4
Sayı 3
Sayfalar 171 / 178
Makale Linki https://go.gale.com/ps/i.do?id=GALE%7CA215925131&sid=googleScholar&v=2.1&it=r&linkaccess=abs&issn=09731792&p=AONE&sw=w&userGroupName=anon%7E68ce4ac9&aty=open-web-entry
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Google Scholar 18

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