Structures of molecular addition compounds. II. Methyl cyanide–boron trifluoride, H3CCN–BF3
نویسندگان
چکیده
منابع مشابه
Molecular and Electronic Structures of TiH3X Compounds
Electronic structure calculations, with a triple zeta plus polarization basis set and second-order perturbation theory, are used to predict the molecular and electronic structures for TiH3X compounds, with X = CH3, NH2, OH, SiH3, PHz, and SH. It is found that for the second-period substituents CH3, NHz, and OH the structures are similar to those of the corresponding silicon compounds. On the ot...
متن کاملPrediction of Toxicity of Nitroaromatic Compounds through Their Molecular Structures
In this paper, a new simple method is presented for the estimation of the toxicity of nitroaromatic compounds including some well-known explosives. This method can predict the 50% lethal dose concentration for rats (LD50) as the estimation of toxicity in vivo. The prediction of LD50 of nitroaromatics through a new general correlation is based on the number of alkyl and nitro groups per molecula...
متن کاملPlatinum (II) Compounds With Antitumor Activity Studied by Molecular Mechanics
A SERIES OF PT(LL) COMPLEXES WITH ANTITUMOR PROPERTIES: [1,2-bis(2,6-dichloro-4-hydroxyphenyl)ethylenediamine]PtL(2) (meso-1-PtL(2)) and [erythro-1-(2,6-dichloro-4-hydroxyphenyl)-2-(2-halo-4-hydroxyphenyl)ethylenediamine]PtL(2), [2L=2Cl-,2I-,SO(4) (2)-; halo = F (erythro-8-PtL(2)),halo = Cl (erythro-9-PtL(2))] has been modelled by molecular mechanics (MM). The MM calculations were carried out f...
متن کاملPoisoning by methyl mercury compounds.
In 1940 Hunter and others, reporting on cases of poisoning by methyl mercury compounds, showed that those working with certain organic mercury derivatives are exposed to great danger. In 1945 Herner collated the cases of poisoning by alkyl mercury compounds recorded in' the literature. The seven cases hitherto published show a characteristic clinical picture beginning with a sensation of numbne...
متن کاملAnticancer Natural Compounds: Molecular Mechanisms and Functions Part II
In spite of enormous success achieved by the cancer biologists and clinical oncologists alike for the last decades, cancers still presents a great challenge for the researchers and suffering for the patients. While basic mechanisms underlying tumor initiation and progression are unraveling as we speak, as well as novel therapeutic strategies often appear in clinical practice the tumors defend t...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Acta Crystallographica
سال: 1950
ISSN: 0365-110X
DOI: 10.1107/s0365110x50000288