Results 91 to 100 of about 23,422 (216)
Scaling theory of the Mott-Hubbard metal-insulator transition in one dimension
We use the Bethe ansatz equations to calculate the charge stiffness $D_{\rm c} = (L/2) d^2 E_0/d\Phi_{\rm c}^2|_{\Phi_{\rm c}=0}$ of the one-dimensional repulsive-interaction Hubbard model for electron densities close to the Mott insulating value of one ...
A. A. Ovchinnikov +73 more
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An investigation of the interactions of two novel and several known DBTAA–adenine conjugates with double-stranded DNA and RNA has revealed the DNA/RNA groove as the dominant binding site, which is in contrast to the majority of previously studied DBTAA ...
Marijana Radić Stojković +5 more
doaj +1 more source
Phyllotreta species (Coleoptera, Chrysomelidae, Halticinae) rank among the most important horticultural pests in the Northern Hemisphere. Leaf damage caused by flea beetles upsets the water balance, blocks plant growth and sometimes causes a high level ...
É. Csonka, M. Tóth
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Computational study on the structures, energetics, and reactivity of some novel chemical systems. [PDF]
Lee Ho-Lam.Thesis (M.Phil.)--Chinese University of Hong Kong, 2003.Includes bibliographical references (leaves 71-72).Abstracts in English and Chinese.Abstract --- p.iAcknowledgements --- p.iiiTable of Contents --- p.ivList of Tables --- p.viList of ...
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Rearrangements and Tunneling Splittings in Small Water Clusters
Recent far-infrared vibration-rotation tunneling (FIR-VRT) experiments pose new challenges to theory because the interpretation and prediction of such spectra requires a detailed understanding of the potential energy surface (PES) away from minima.
David J. Wales, Friedrich B.
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Theoretical Study on Stability and Spectroscopy of C84O2 Based on C84(D2d)
The relative stabilities of the twenty-three possible isomers for C84O2 based on C84(D(2d)) were studied by using density functional theory (DFT) at B3LYP/6-31G(d) level.
Jingcheng Fu +4 more
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Phosphine-porphyrin conjugates : a thesis presented in partial fulfilment of the requirements for the degree of Masterate of Science in Chemistry at Massey University, New Zealand [PDF]
The research carried out in this thesis comprises an investigation into the synthesis and characterisation of a variety of complexed phosphine-aldehydes, complexed phosphinoporphyrins, and phosphinoferrocene conjugates.
Lun, David James
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The unexpected formation of a highly strained polycyclic amine was observed in a one-pot synthesis from cyclopentanone, dimethyl fumarate and ammonium acetate.
Sergey A. Dobrynin +7 more
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Stilbenoide Verbindungen stellen eine interessanteSubstanzklasse in den Materialwissenschaften dar. Zu diesengehören auch die arenokondesierten Annulene, die häufig diskotische Flüssigkristallphasen bilden und eininteressantes Phasenverhalten und eine interessantePhotochemie besitzen.
openaire +3 more sources
Theoretical study of geometries and 1H-chemical shifts of cycloarenes
The geometries of the cycloarenes 1–6 with 9–12 annelated benzene rings are determined by means of a π-SCF force-field approach. 1H-chemical shifts are calculated by taking into account ring current and local anisotropic contributions.
Vogler, H.
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