Theoretical Investigation of Azaphosphatrane Bases
نویسندگان
چکیده
منابع مشابه
Theoretical investigation of the halogen bonded complexes between carbonyl bases and molecular chlorine
The halogen bonded complexes between six carbonyl bases and molecular chlorine are investigated theoretically. The interaction energies calculated at the CCSD(T)/aug-cc-pVTZ level range between -1.61 and -3.50 kcal mol(-1). These energies are related to the ionization potential, proton affinity, and also to the most negative values (V(s,min)) on the electrostatic potential surface of the carbon...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 1994
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja00104a026