New atomic scale simulation models for hydroxides and oxyhydroxidesCHRONEOS, A; DESAI, K; REDFERN, S. E et al.Journal of materials science. 2006, Vol 41, Num 3, pp 675-687, issn 0022-2461, 13 p.Article

Formation of an infinite 2D-layered water of (H₂O)₄₅ cluster in a cryptand-water supramolecular complex : A template effectLAKSHMINARAYANAN, P. S; SURESH, Eringathodi; GHOSH, Pradyut et al.Journal of the American Chemical Society. 2005, Vol 127, Num 38, pp 13132-13133, issn 0002-7863, 2 p.Article

Guanidinium ion as a symmetrical template in the formation of cubic hydrogen-bonded borate networks with the boracite topologyABRAHAMS, Brendan F; HAYWOOD, Marissa G; ROBSON, Richard et al.Journal of the American Chemical Society. 2005, Vol 127, Num 3, pp 816-817, issn 0002-7863, 2 p.Article

Dimethylsuphoxide and its roles in the coordination chemistry of the uranyl ion : Le concept de coordination = The concept of coordinationHARROWFIELD, Jack M; SKELTON, Brian W; WHITE, Allan H et al.Comptes rendus. Chimie. 2005, Vol 8, Num 2, pp 169-180, issn 1631-0748, 12 p.Article

In situ single-crystal X-ray diffraction studies of desorption and sorption in a flexible nanoporous molecular framework materialHALDER, Gregory J; KEPERT, Cameron J.Journal of the American Chemical Society. 2005, Vol 127, Num 21, pp 7891-7900, issn 0002-7863, 10 p.Article

Reversible repositioning of zinc atoms within single crystals of a zinc polycarboxylate with an open-framework structureHANSON, Kenneth; CALIN, Nathalie; BUGARIS, Daniel et al.Journal of the American Chemical Society. 2004, Vol 126, Num 34, pp 10502-10503, issn 0002-7863, 2 p.Article

A theoretical study of the thermal fragmentation of ferroceneELIHN, Karine; LARSSON, Karin.Thin solid films. 2004, Vol 458, Num 1-2, pp 325-329, issn 0040-6090, 5 p.Article

Atomistic modeling of metastable phase selection of a highly immiscible Ag-W systemZHANG, R. F; SHEN, Y. X; GONG, H. R et al.Journal of the Physical Society of Japan. 2004, Vol 73, Num 7, pp 2023-2027, issn 0031-9015, 5 p.Article

Donor-acceptor (electronic) coupling in the precursor complex to organic electron transfer: Intermolecular and intramolecular self-exchange between phenothiazine redox centersSUN, Duoli; ROSOKHA, Sergiy V; KOCHI, Jay K et al.Journal of the American Chemical Society. 2004, Vol 126, Num 5, pp 1388-1401, issn 0002-7863, 14 p.Article

Synthesis, crystal structure, and transistor performance of tetracene derivativesMOON, Hyunsik; ZEIS, Roswitha; BORKENT, Evert-Jan et al.Journal of the American Chemical Society. 2004, Vol 126, Num 47, pp 15322-15323, issn 0002-7863, 2 p.Article

Extended hypervalent 5c-6e interactions : Linear alignment of five C-Se-O-Se-C atoms in anthraquinone and 9-methoxyanthracene bearing arylselanyl groups at the 1,8-positionsNAKANISHI, Waro; HAYASHI, Satoko; ITOH, Norio et al.Journal of organic chemistry. 2004, Vol 69, Num 5, pp 1676-1684, issn 0022-3263, 9 p.Article

Atomistic modelling of TiAl. I. Bond-order potentials with environmental dependenceZNAM, S; NGUYEN-MANH, D; PETTIFOR, D. G et al.Philosophical magazine (2003. Print). 2003, Vol 83, Num 4, pp 415-438, issn 1478-6435, 24 p.Article

Computer simulation study of extrinsic defects in PbWO₄ crystalsQISHENG LINE; XIQI FENG.Journal of physics. Condensed matter (Print). 2003, Vol 15, Num 12, pp 1963-1973, issn 0953-8984, 11 p.Article

Interaction energy parameters in hypostoichiometric mono-carbides, TiC_x and NbC_x, evaluated by statistical thermodynamicsSHOHOJI, N.Materials science and technology. 2003, Vol 19, Num 11, pp 1469-1472, issn 0267-0836, 4 p.Article

Investigation of the mica x-ray absorption near-edge structure spectral features at the Al K-edgeZIYU WU; MARCELLI, A; CIBIN, G et al.Journal of physics. Condensed matter (Print). 2003, Vol 15, Num 41, pp 7139-7148, issn 0953-8984, 10 p.Article

Ammonium cyanate shows N-H...N hydrogen bonding, not N-H...OMACLEAN, Elizabeth J; HARRIS, Kenneth D. M; KARIUKI, Benson M et al.Journal of the American Chemical Society. 2003, Vol 125, Num 47, pp 14449-14451, issn 0002-7863, 3 p.Article

C-H - - -O hydrogen bonds in β-sheetlike networks: Combined X-ray crystallography and high-pressure infrared studyKWANG MING LEE; CHANG, Hai-Chou; JIANG, Jyh-Chiang et al.Journal of the American Chemical Society. 2003, Vol 125, Num 40, pp 12358-12364, issn 0002-7863, 7 p.Article

Correspondence between molecular functionality and crystal structures. Supramolecular chemistry of a family of homologated aminophenolsVANGALA, Venu R; BHOGALA, Balakrishna R; DEY, Archan et al.Journal of the American Chemical Society. 2003, Vol 125, Num 47, pp 14495-14509, issn 0002-7863, 15 p.Article

Anion packing density: a universal quantity for both dense and porous crystalline inorganic phasesLIEBAU, F; KÜPPERS, H.Acta crystallographica. Section B, Structural science. 2002, Vol 58, Num 3, pp 457-462, issn 0108-7681, 2Article

Charge density study of hydrogen [(2,4-diaminopyrimidin-1-io)methyl]phosphonate monohydrateSLOUF, Miroslav; HOLY, Antonin; PETRICEK, Vaclav et al.Acta crystallographica. Section B, Structural science. 2002, Vol 58, Num 3, pp 519-529, issn 0108-7681, 2Article

Cluster model study for a new PdH phase with superabundant vacanciesWATARI, N; OHNISHI, S.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 4, pp 769-781, issn 0953-8984Article

New partially oxidized 1-D platinum chain complexes consisting of carboxylate-bridged cis-diammineplatinum dimer cationsSAKAI, Ken; ISHIGAMI, Eri; KONNO, Yosuke et al.Journal of the American Chemical Society. 2002, Vol 124, Num 41, pp 12088-12089, issn 0002-7863, 2 p.Article

Density functional calculations on hydrogen in palladium-silver alloysLØVVIK, O. M; OLSEN, R. A.Journal of alloys and compounds. 2002, Vol 330-32, pp 332-337, issn 0925-8388Article

Deuterium structural effects in inorganic and bioinorganic aggregatesJAEHO LEE; CHASTEEN, N. Dennis; GUANGHUA ZHAO et al.Journal of the American Chemical Society. 2002, Vol 124, Num 12, pp 3042-3049, issn 0002-7863Article

Effect of p elements introduced into Fe, Co, and Ni on the equilibrium properties of the NaCl-type structure and spin polarization of the s, p, and d electron subsystemsMOSKVICHEV, A. Yu; NECHAEV, I. A; DEMIDENKO, V. S et al.Physics of metals and metallography. 2002, Vol 93, Num 2, pp 118-123, issn 0031-918XArticle