Vibrational frequency analysis of CH3Cl molecule; ab initio study
نویسندگان
چکیده
منابع مشابه
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...
متن کاملab 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...
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ژورنال
عنوان ژورنال: Himalayan Physics
سال: 2015
ISSN: 2542-2545
DOI: 10.3126/hj.v5i0.12902