Results 91 to 100 of about 23,422 (216)

Scaling theory of the Mott-Hubbard metal-insulator transition in one dimension

open access: yes, 1993
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
core   +2 more sources

Molecular recognition of AT-DNA sequences by the induced CD pattern of dibenzotetraaza[14]annulene (DBTAA)–adenine derivatives

open access: yesBeilstein Journal of Organic Chemistry, 2014
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

Chemical communication with volatile semiochemicals in Phyllotreta species (Coleoptera, Chrysomelidae): a minireview

open access: yesInternational Journal of Horticultural Science, 2005
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
doaj   +1 more source

Computational study on the structures, energetics, and reactivity of some novel chemical systems. [PDF]

open access: yes, 2003
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 ...

core  

Rearrangements and Tunneling Splittings in Small Water Clusters

open access: yes, 1998
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.
core   +1 more source

Theoretical Study on Stability and Spectroscopy of C84O2 Based on C84(D2d)

open access: yesActa Chimica Slovenica, 2013
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
doaj  

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]

open access: yes, 2000
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
core  

Unexpected one-pot formation of the 1H-6a,8a-epiminotricyclopenta[a,c,e][8]annulene system from cyclopentanone, ammonia and dimethyl fumarate. Synthesis of highly strained polycyclic nitroxide and EPR study

open access: yesBeilstein Journal of Organic Chemistry, 2019
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
doaj   +1 more source

Arenokondensierte Annulene

open access: yes, 2000
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

open access: yes, 1985
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.
core   +1 more source

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