Molecular mechanics has been used to calculate the geometry of biphenyl in the gas and crystalline phases. The geometry of the isolated molecule is mainly determined by a balance of -electron and non-bonded energies, while in the crystal the most important forces are the intermolecular C H ...
The molecular geometries and harmonic vibrational frequencies of biphenyl in the ground and the first excited triplet states have been calculated using the Hartree-Fock and Becke-3-Lee-Yang-Parr (B3LYP) density functional methods with 6-31G basis set. Structural change occurs from a twisted benzene...
ChemInform Abstract: Structure and Metal Coordination of the Diphosphane 2,2′-Bis(( diphenylphosphino)methyl)-1,1′-biphenyl (“BISBI”). ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a Chem....
(1) Both the high resolution structure of SII and the details of its novel mechanism of action have been refined through mutagenesis and sophisticated in... M Wind,D Reines - 《Bioessays》 被引量: 577发表: 2000年 Transcriptional transgene silencing and chromatin components and Grunstein, M. ...
select article Synthesis, structure, fluorescence and photocatalytic properties of two complexes based on a dimethylimidazole biphenyl/isophthalic acid ligand Research articleAbstract only Synthesis, structure, fluorescence and photocatalytic properties of two complexes based on a dimethylimidazole biphenyl/isophthal...
ChemInform Abstract: CRYSTAL AND MOLECULAR STRUCTURE OF DICHLOROBIS(2,2′‐BIS(DIMETHYLARSINO)BIPHENYL)NICKEL(II)structure (organic substances)The geometries of the hexacarbonyls and pentacarbonyls of chromium, molybdenum, and tungsten are optimized at the Hartree-Fock and MP2 levels of theory using ...
structureThe crystal structures of bis(acetato-O)triphenylbismuth(V) and biphenyl-2,2′-ylene-chloro-bismuth(III) have been determined by single crystal X-ray diffraction. The Bi(V) compound crystallizes in the monoclinic space group C2/c (Z = 4) with a = 12.968(1), b =...
StructureActivity Relationships for Group 4 Biaryl Amidate Complexes in Catalytic Hydroamination/Cyclization of Aminoalkenes Synthesis of bis(carboxamide) proligands derived from (R,S)-2,2'-diamino-6,6'dimethylbiphenyl was readily achieved by treatment of the amine with acid chlo... AL Gott,AJ Cl...
X-ray crystal structure of (eta(5)-pentaphenylcyclopentadienyl)[1-(eta(5/6)-phenyl)-2,3,4,5-tetraphenylcyclopentadienyl]iron(II), [Fe(eta(5)-C(5)Ph(5))[(et... X-ray crystal structure of (eta(5)-pentaphenylcyclopentadienyl)[1-(eta(5/6)-phenyl)-2,3,4,5-tetraphenylcyclopentadieny...
Synthesis and characterization of isomeric biphenyl-containing poly(aryl ether bisketone)s, 3. Polymers derived from 3,4′-bis(4-fluorobenzoyl)biphenyl and bisphenols A series of high-molecular-weight amorphous and semicrystalline poly(aryl ether bisketone)s were prepared from bisphenols and 3,4′-...