نتایج جستجو برای: common calculations
تعداد نتایج: 789525 فیلتر نتایج به سال:
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...
Journal:
:Journal of the European Economic Association
2003
Journal:
:LMS Journal of Computation and Mathematics
2004
Journal:
:Protein Engineering, Design and Selection
1999
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