Correlated molecular and cumulative atomic multipole moments

W. Andrzej Sokalski, A. Sawaryn

The Journal of Chemical Physics

EngineeringMolecular Multipole MomentsComputational ChemistryChemistrySpectra-structure Correlation +14

The novel mixed-valence, exchange-coupled, class III dimer [L₂Fe₂(µ-OH)₃]²⁺(L =N,N′,N″-trimethyl-1,4,7-triazacyclononane)

S. Drüeke, Phalguni Chaudhuri, Klaus Pohl, +7

Journal of the Chemical Society Chemical Communications

Materials ScienceInorganic ChemistryMagnetic PropertiesClass IiiEngineering +9

Collagen II from articular cartilage and annulus fibrosus

Chunlin Yang, Haifeng Rui, Stephan Mosler, +3

European Journal of Biochemistry

A new tetranuclear oxohydroxoiron(III) cluster: crystal structure, magnetic properties, and EXAFS investigation of [L4Fe4(.mu.-O)2(.mu.-OH)4]I4.cntdot.3H2O (L = 1,4,7-triazacyclononane)

S. Drüeke, Karl Wieghardt, Bernhard Nuber, +4

Inorganic Chemistry

Materials ScienceInorganic ChemistryMagnetic PropertiesCrystal StructureEngineering +10

Experimental and theoretical studies on the charge stripping from CH3X+ and CH2XH+? ions (X = F, Cl, Br, I, OH, SH, or NH2)

Françis Maquin, Daniel Ståhl, A. Sawaryn, +4

Journal of the Chemical Society Chemical Communications

EngineeringComputational ChemistryChemistryIon ProcessRydberg State +15

Structures, stabilities, and bonding in CBe2, C2Be, and C2Be2

Wolfram Koch, Gernot Frenking, Dieter Cremer, +2

Journal of the American Chemical Society

Materials ScienceEngineeringChemical AnalysisDonut IconChemical Bond +8

The Remarkable Structure of Lithium Cyanide/Isocyanide

Paul von Ragué Schleyer, A. Sawaryn, Alan E. Reed, +1

Journal of Computational Chemistry

Materials ScienceInorganic ChemistryChemical EngineeringLithium IsocyanideRelative Stabilities +13

The DpsA-homologue of the archaeon Halobacterium salinarum is a ferritin

Sabine Reindel, Stefan Anemüller, A. Sawaryn, +1

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

BiologyMicrobial SystematicsProkaryotic SystemPhylogenetic AnalysisNatural Sciences +9

<i>Ab initio</i>study of electronic properties in free and matrix-isolated iron dihalides

Emile L. Bominaar, J. Guillin, A. Sawaryn, +1

Physical review. B, Condensed matter

EngineeringPhysicsRelative Isomer ShiftNatural SciencesCondensed Matter Physics +13

Cumulative atomic multipole moments and point charge models describing molecular charge distribution

A. Sawaryn, W. Andrzej Sokalski

Computer Physics Communications

EngineeringPhysicsMany-body ProblemNatural SciencesApplied Physics +8