.4b initio vibrational-rotational spectrum of potassium cyanide: KCN

Ab initio vibrational-rotational spectrum of potassium cyanide: KCN. II. Large amplitude motions and rovibrational coupling

AN !SCF POTENTIAL ENERGY SURFACE FOR LlTHRlM CYANIDE

Recent microwave experiments [I] have shown that potassium cyamde has a triangular shape. This finding has been supported by ab initio SCF calculations [I-4]. Tbe ab initio calculations predict that sodium cyanide is also triangular [3,4] _ Lithium cyanide, on the other hand, is predicted to be linear and to have an isocyanide structure [5,6]. Numerous calculations [6-I I] agree that hydrogen c...

In vivo release of cyanide from sodium nitroprusside.

Brain cytochrome oxidase activity was measured after the in vitro addition of potassium cyanide (KCN) or sodium nitroprusside (SNP). Activity of cytochrome oxidase was sensitive to KCN; however, this activity was unaffected by SNP. In SNP- and KCN-treated animals brain cytochrome oxidase activities were measured. At 3 min after SNP injection, inhibition of the enzymatic activity was the same as...

Ab initio study , Investigation of NMR ShieldingTensors and Vibrational frequency of 5-S-cysteinyldopamine

The interaction of dopamine and cysteine for formation of 5-S-cysteinyldopamine are investigated at theHartree-Fock level theory. The structural and vibrational properties of 5-S-cysteinyldopamine are studiedat level of HF/6-31G*.Interaction energy ( AE) is calculated -771.6923 Kcal/mol Rotational energy andthermodynamic parameters around two bond have been determined using HF/3-21G. Changes of...

Intoxication by Cyanide in Pregnant Sows: Prenatal and Postnatal Evaluation

Cyanide is a ubiquitous chemical in the environment and has been associated with many intoxication episodes; however, little is known about its potentially toxic effects on development. The aim of this study was to evaluate the effects of maternal exposure to potassium cyanide (KCN) during pregnancy on both sows and their offspring. Twenty-four pregnant sows were allocated into four groups that...