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Homo rhodesiensis

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Insight from First-Principles Calculations into the Interactions between Hydroxybenzoic Acids and Alkali Chloride Surfaces

Wei Chen

Tuning of effective band gaps at insulator surfaces by adsorbed molecules is of fundamental interest but also technologically relevant for contact charging induced by adsorbed molecules like hydroxybenzoic acids. Our studies by density functional theory of ...

American Chemical Society2010

Cationic P-S-X cages (X=Br, I)

The first condensed-phase preparation of ternary P-Ch-X cations (Ch=O-Te, X=F-I) is reported: [P5S3X2]+, [P5S2X2]+, and [P4S4X]+ (X=Br, I). [P5S3X2]+ is formed from the reaction of the Ag+/PX3 reagent with P4S3. The [P5S3X2]+ ions have a structure that is ...

2006

Similarities and differences of polyadenylation signals in human and fly

Felix Naef, Philipp Bucher

ABSTRACT: BACKGROUND: Cleavage of messenger RNA (mRNA) precursors is an essential step in mRNA maturation. The signal recognized by the cleavage enzyme complex has been characterized as an A rich region upstream of the cleavage site containing a motif with ...

2006

Rapid and selective surveillance of Arabidopsis thaliana genome annotations with Centrifuge

Florence Armand, Philipp Bucher

Centrifuge is a user-friendly system to simultaneously access Arabidopsis gene annotations and intra- and inter-organism sequence comparison data. The tool allows rapid retrieval of user-selected data for each annotated Arabidopsis gene providing, in any c ...

Oxford University Press2005

Implications of Symmetry Rules for the Aromaticity of Inorganic Clusters

Isoelectronic clusters with the same basic cage structures may exhibit surprisingly different magnetic properties. For instance, nucleus-independent chem. shift (NICS) values, computed at cluster centers, may range considerably in magnitude and even change ...

2005

Relative stabilities of weakly coordinating anions: A computational study

Ines Raabe

This article describes BP86/SV(P) (DFT) calcns. on a representative set of weakly coordinating anions (WCAs) of type [M(L)n]-, their parent neutral Lewis acids M(L)n-1 and their ate complexes with fluoride, i.e., [FM(L)n]n-1 (M = B, L = F, OTeF5, C6H5, C6F ...

2004