نتایج جستجو برای: mndo calculations
تعداد نتایج: 111901 فیلتر نتایج به سال:
Journal:
:International Journal of Quantum Chemistry
2000
Journal:
:The Journal of Risk and Insurance
1982
Journal:
:Undergraduate Journal of Mathematical Modeling: One + Two
2013
Journal:
:iranian chemical communication
2014
reza behjatmanesh
negin safaeian
: in this work, different levels of theory containing hf, b3lyp, and mp2 with different basis sets such as 6-31g, 6-31g*, 6-311g, 6-311+g, 6-31+g*, 6-31+g are used to predict relative acidity constants of some aniline derivatives. three different kinds of radii containing uahf, bondi, and pauling are used to study how cavity forms change acidity constants. in all cases, dpcm model is used to si...
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