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INVESTIGATION OF THE POTENTIAL SURFACE OF TETRAALANINE-Peptide BY SEQUENTIALLY LOCKING THE MOLECULAR DYNAMIC TRAJECTORY OF THE SYSTEM IN ATTRACTION BASINS
THE ROLE OF SUBLATTICES IN CHEMICAL BONDING IN MOLECULAR ION CRYSTALS
A DENSITY FUNCTIONAL STUDY OF OZONE AND OXYGEN SURFACE STRUCTURES ON NI(110)
QUANTUM-CHEMICAL CALCULATIONS OF THE STRUCTURE OF THE TRIPLET REACTION COMPLEXES IN ANIONIC POLYMERIZATION OF BUTADIENE
CONFORMATIONAL ANALYSIS OF p-SUBSTITUTED CALIX[6]ARENES BY MOLECULAR MECHANICS AND QUANTUM-CHEMICAL METHODS
ISOMERISM AND VIBRATIONAL SPECTRA OF ALKALI METAL PERRHENATES
A NEW METHOD OF CALCULATING MULTICENTER MATRIX ELEMENTS IN MO LCAO THEORY USING AN EXPONENTIAL TYPE BASIS
MONOAQUABIS(2,2′-BIPYRIDINE)SACCHARINATOZINC(II) SACCHARINATE. 1. STRUCTURAL STUDY BY SINGLE CRYSTAL X-RAY DIFFRACTION, FTIR, AND DS CALORIMETRY
ASYMMETRY OF H2O MOLECULES IN THE LIQUID STATE AND ITS CONSEQUENCES
SOME STRUCTURAL AND THERMODYNAMIC ASPECTS OF SOLVATION OF SINGLE IONS. 1. THERMODYNAMIC CHARACTERISTICS OF SOLVATION OF SINGLE-CHARGED IONS IN WATER AND METHANOL AND THEIR STRUCTURAL TERMS
SOME STRUCTURAL AND THERMODYNAMIC ASPECTS OF SOLVATION OF SINGLE IONS. 2. SALT EFFECTS IN AQUEOUS SOLUTIONS OF 1–1 ELECTROLYTES
MODULAR ANALYSIS OF THE CRYSTAL STRUCTURES OF SULFIDES AND SULFO SALTS WITH OCCUPIED TETRAHEDRA OF TWO ORIENTATIONS
INDIUM PEROVSKITE-LIKE PHASES
MONODENTATE AND BRIDGING BIDENTATE FUNCTIONS OF PYRAZINE IN THE CRYSTAL STRUCTURES OF [NI(PZ)2{(i-C4H9)2PS2{2] AND [NI(PZ){(I-C4H9)2PS2}2]n
CRYSTAL STRUCTURE OF HEXA(μ-bromo)-μ4-OXO-TETRAKIS-(1-ETHYLTETRAZOLE)-TETRACOPPER(II)
CRYSTAL AND MOLECULAR STRUCTURE OF 2H- AND 2-(p-TOLYLAMINO)-5,6-DIMETHYLTHIENO[2,3-d]PYRIMIDIN-4-ONES
ELECTRONIC STRUCTURE, CHEMICAL BONDING, AND PROPERTIES OF BINARY CARBIDES MxM'yCz IN THE CRYSTALLINE AND MOLECULAR STATES
EFFECT OF THE BASIS ON THE ACCURACY OF DIPOLE MOMENT ESTIMATION FOR ACETANILIDE
CaBa2Cu2FeO PHASE
PROTON-ACCEPTING ABILITY OF DIOXOLANES BASED ON THE PARAMETERS OF THE VOH IR BAND IN SOLUTION
USING CORRELATION WEIGHT OPTIMIZATION OF THE LOCAL INVARIANTS OF GRAPHS FOR QSPR SIMULATION OF CRYSTAL LATTICE ENERGY
CRYSTAL STRUCTURE OF THE ENERGY COMPOUND TRIS(ETHYLENEDIAMINE)NICKEL(II) DINITROAMIDATE [Ni(EN)3][N(NO2)2]2
CRYSTAL STRUCTURE PECULIARITIES OF 2-METHOXYCARBONYLAMINOQUINAZOLONE-4