نتایج جستجو برای: mndo calculations

تعداد نتایج: 111901  

Journal: :Nature Chemistry 2013

Journal: :The Analyst 1921

Journal: :British Dental Journal 2007

Journal: :Journal of Chemical Education 1953

Journal: :Journal of Chemical Education 1956

Journal: :iranian journal of radiation research 0
a. mesbahi medical physics department, medical school and radiation oncology department, imam-khomeini hospital, tabriz university of medical sciences, tabriz, iran

background: the monte carlo (mc) method is not only used for dose calculations around brachytherapy sources but also for benchmarking treatment planning systems (tps) calculations. materials and methods: three 60co sources of gzp6 brachytherapy unit were simulated using mcnp4c mc code. the radial dose functions were calculated by mc method and gzp6 tps and were compared. results: there was a go...

2009
F. Effenberger F. Reisinger

Steric and electronic properties for a series of u-complexes have been examined by experimental and theoretical techniques. Crystal structures for three 2,4,6-tripyrrolidinocyclohexadienylium salts 3a, 3b, and 4a and for l-methyl-2,4,6tripyrrolidinobenzene 5 are reported. With respect to the cyclohexadienylium ring, the H,H u-complexes, 3, display a planar conformation whereas u-complexes 4 and...

2000
M. A. Perez E. Longo C. A. Taft

We have investigated linear, starbranched and hyperbranched XnHm polymers and determined the number of atoms, rotors, internal coordinates, valence and HOMO molecular orbitals as well as molecular mass for each generation and valency. We use the semi-empirical MNDO model to obtain full geometry optimization for increasingly larger clusters for each generation in order to obtain total relative e...

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