Results 71 to 80 of about 507,143 (197)
Virtual screening of n-type organic semiconductors using exhaustive band structure calculations
Science and Technology of Advanced Materials: MethodsWe performed a virtual screening of high-mobility n-type organic semiconductor materials using the Cambridge Structural Database (CSD) and large-scale band structure calculations.
Tomoharu Okada +3 more
doaj +1 more source
Silver(I) Complexation of (Poly)aromatic Ligands. Structural Criteria for Depth Penetration into \u3cem\u3ecis\u3c/em\u3e-Stilbenoid Cavities [PDF]
, 2000 Silver(I) complexes with aromatic donors are thoroughly analyzed (with aid of the Cambridge Crystallographic Database) to identify the basic structural factors inherent to the bonding of an arene ligand.
Kochi, Jay K. +2 more
core +1 more source
Robust multi-fidelity design of a micro re-entry unmanned space vehicle [PDF]
, 2011 This article addresses the preliminary robust design of a small-scale re-entry unmanned space vehicle by means of a hybrid optimization technique. The approach, developed in this article, closely couples an evolutionary multi-objective algorithm with a ...
Aupoix B. +9 more
core +1 more source
Science and Technology of Advanced MaterialsCharge transport in organic semiconductors occurs via overlapping molecular orbitals quantified by transfer integrals. However, no statistical study of transfer integrals for a wide variety of molecules has been reported.
Koki Ozawa +2 more
doaj +1 more source
Detecting rich-club ordering in complex networks
, 2006 Uncovering the hidden regularities and organizational principles of networks arising in physical systems ranging from the molecular level to the scale of large communication infrastructures is the key issue for the understanding of their fabric and ...
A Barrat +31 more
core +2 more sources
bNAber: database of broadly neutralizing HIV antibodies. [PDF]
, 2013 The discovery of broadly neutralizing antibodies (bNAbs) has provided an enormous impetus to the HIV vaccine research and to entire immunology. The bNAber database at http://bNAber.org provides open, user-friendly access to detailed data on the rapidly ...
Burton, Dennis R +8 more
core +4 more sources
Expressing the tacit knowledge of a digital library system as linked data [PDF]
, 2019 Library organizations have enthusiastically undertaken semantic web initiatives and in particular the data publishing as linked data. Nevertheless, different surveys report the experimental nature of initiatives and the consumer difficulty in re-using ...
Di Iorio, A., Schaerf, M.
core +1 more source
(1S,5R,7R,30S)-14-Deoxyisogarcinol
Acta Crystallographica Section E, 2012 The title compound, C38H50O5 {systematic name: 10-(3-hydroxybenzoyl)-2,2,7,7-tetramethyl-3,6,8-tris(3-methylbut-2-enyl)-3,4,4a,5,6,7-hexahydro-4a,8-methano-2H-cycloocta[b]pyran-9,11(8H)-dione}, is a polyisoprenylated benzophenone, isolated for the first ...
Ranjeet Kaur +2 more
doaj +1 more source
IUCrJ, 2019 The interoperability of chemical and biological crystallographic data is a key challenge to research and its application to pharmaceutical design. Research attempting to combine data from the two disciplines, small-molecule or chemical crystallography ...
Alice Brink, John R. Helliwell
doaj +1 more source
Computational Thermodynamics and Kinetics in Materials Modelling and Simulations [PDF]
, 2007 Over the past two decades, Computational Thermodynamics and Kinetics have been tremendously contributed to materials modeling and simulations and the demands on quantitative conceptual design and processing of various advanced materials arisen from ...
Agren, John +6 more
core +2 more sources