Zero field splitting of triplet levels of conjugated molecules: A comparison of exact and approximate π-schemes A. V. Luzanov OriginalPaper 26 March 2013 Pages: 1 - 9
Structure of the HOO-N=N-OOH intermediate in hydrogen peroxide activation of N2: Quantum chemical DFT calculations I. I. ZakharovM. G. LoriyaA. B. Tselishchev OriginalPaper 26 March 2013 Pages: 10 - 16
A quantum chemical study of the mechanism of the regioselective domino-reaction of O-vinyl-2-tetralone oxime V. A. ShagunA. M. Vasil’tsovB. A. Trofimov OriginalPaper 26 March 2013 Pages: 17 - 25
Investigation of EPR parameters and the local structure of the rhombic Cu2+ center in zinc fluoride H. -M. ZhangX. Wan OriginalPaper 26 March 2013 Pages: 26 - 31
Theoretical study on the structures and properties of (Br2AlN3) n (n = 1–4) clusters Q. Y. XiaD. X. MaW. W. Zhao OriginalPaper 26 March 2013 Pages: 32 - 39
Structural, electronic, and vibrational properties of acetylene on Pd(100) doped with Sn or Pb: A DFT cluster model study P. Matczak OriginalPaper 26 March 2013 Pages: 40 - 49
Carbometallic derivatives of C 1v and C 5v boranes: Enumeration and identification of substitution isomers and the calculation scheme of the properties of C 5v based on pascal’s triangle numbers V. M. SmolyakovD. V. SokolovV. V. Grebeshkov OriginalPaper 26 March 2013 Pages: 50 - 58
Reasons for the line broadening in the epr spectra of copper ions in Li2-2x Zn2+x (MoO4)3 lithium-zinc molybdate crystals A. A. RyadunV. A. NadolinnyE. G. Boguslavskii OriginalPaper 26 March 2013 Pages: 59 - 64
Parallel and distributed computing in problems of supercomputer simulation of molecular liquids by the Monte Carlo method A. V. Teplukhin OriginalPaper 26 March 2013 Pages: 65 - 74
Quantitative estimation of the discontinuous function of the solvent in aqueous electrolyte solutions V. N. Afanas’ev OriginalPaper 26 March 2013 Pages: 75 - 87
Hydration of α-alanine in aqueous sodium chloride and urea solutions V. P. KorolevA. L. Serebryakova OriginalPaper 26 March 2013 Pages: 88 - 91
Pseudosymmetry in crystalline compounds with highly symmetric sublattices A. S. Poplavnoi OriginalPaper 26 March 2013 Pages: 92 - 96
Crystal structure of sodium-strontium paratungstate B, Na6Sr2[W12O40(OH)2]·24H2O S. V. RadioN. I. GumerovaV. N. Baumer OriginalPaper 26 March 2013 Pages: 97 - 103
Structure of Mn(II), Co(II), Ni(II), and Cu(II) complexes with triformylmethane E. V. TretyakovS. E. TolstikovV. I. Ovcharenko OriginalPaper 26 March 2013 Pages: 104 - 109
Crystal structure of a new supramolecular Ni(II) N 6-benzylaminopurine compound M. XiaC. -L. Wei OriginalPaper 26 March 2013 Pages: 110 - 115
Characterization and crystal structure study of a new Cu(II) complex of pyridine-2,6-dicarboxylic acid and aniline containing a water cluster U. Ibotomba SinghR. K. Bhubon SinghJ. A. Golen OriginalPaper 26 March 2013 Pages: 116 - 122
A study of the structure and properties of mixed-ligand Cu(II) complexes with hexafluoroacetylacetone and methyl-, phenyl-ketoimines P. A. StabnikovI. V. KorolkovI. A. Baidina OriginalPaper 26 March 2013 Pages: 123 - 128
Crystal structures of allyltriphenyl-phosphonium halogenocuprates(I) G. V. NoshchenkoN. F. SalivonV. V. Olijnyk OriginalPaper 26 March 2013 Pages: 129 - 133
Structural features of thiocarbamide derivatives of some lanthanide iodides T. A. AntonenkoL. Yu. AlikberovaN. S. Rukk OriginalPaper 26 March 2013 Pages: 134 - 139
A new polymorph of methimazole: Single crystal and powder X-ray diffraction study O. A. LodochnikovaA. V. BodrovI. A. Litvinov OriginalPaper 26 March 2013 Pages: 140 - 147
Crystal structures and antibacterial activity of hydrazone derivatives from 1H-indol-3-acetohydrazide F. ZhiN. ShaoY. Yang OriginalPaper 26 March 2013 Pages: 148 - 154
Tartaric acid and its O-acyl derivatives. 7. Crystal structure of O-p-anisoyl-D-tartaric acid and its dimethylammonium salt trihydrate G. Wesela-BaumanT. BoinskiK. Zawada OriginalPaper 26 March 2013 Pages: 155 - 158
A quantum chemical study of silsesquioxanes: H8Si8O12, Me8Si8O12, H@Me8Si8O12, He@Me8Si8O 12 + , and He@Me8Si8O12 S. G. SemenovM. E. Bedrina Brief Communications 26 March 2013 Pages: 159 - 163
Structure of the complex of hexanuclear manganese pivalate with isonicotinamide E. Yu. FursovaV. I. OvcharenkoG. V. Romanenko Brief Communications 26 March 2013 Pages: 164 - 167
Crystal structural and thermal properties of a 1D cadmium coordination polymer [Cd(PhCOO)2(bbbm)] n C. -H. HeC. -H. JiaoG. -H. Cui Brief Communications 26 March 2013 Pages: 168 - 172
In situ synthesis and structure of FeCl4(4,4′-diethyl-4,4′-bipyh) (bipy = bipyridine) W. -T. ChenZ. -G. LuoQ. -Y. Luo Brief Communications 26 March 2013 Pages: 173 - 176
Crystal structure of diacetato-bis(2-methyl-2-propylamine)zinc(II) E. Kandasamy Brief Communications 26 March 2013 Pages: 177 - 181
Crystal and molecular structure of N-methyl-bis(2-hydroxyethyl)ammonium (4-chlorphenylsulfonyl)acetate M. G. VoronkovV. S. FundamenskiiA. N. Mirskova Brief Communications 26 March 2013 Pages: 182 - 185
Structure of ethyl 3-(4-tolyl)hydrazono-2,4-dioxopentanoates T. V. LevenetsV. O. Koz’minykhA. O. Tolstikova Brief Communications 26 March 2013 Pages: 186 - 188
Absolute configuration of 3-acetylbetulinic acid E. M. SuleimenK. Van HeckeWim Dehaen Brief Communications 26 March 2013 Pages: 189 - 191
Unusual crystal and molecular structure of tris(2-hydroxyethyl)ammonium fluoride M. G. VoronkovA. A. KorlyukovÈ. A. Zel’bst Brief Communications 26 March 2013 Pages: 192 - 195
Novel crystal structures of potassium salts of chalcohydroxo cluster complexes [Re6Q8(OH)6]4− (Q = S or Se) K. A. Brylev Brief Communications 26 March 2013 Pages: 196 - 200
Crystal structure and thermal properties of [Pt(NH3)5Cl][ReCl6]Cl·H2O A. V. ZadesenetsI. V. Korol’kovS. A. Gromilov Brief Communications 26 March 2013 Pages: 201 - 205
Structural investigation of ethylenediaminium tetrachloroaurates(III) E. V. MakotchenkoI. A. BaidinaL. A. Sheludyakova Brief Communications 26 March 2013 Pages: 206 - 212
Chiral crystallization of cis-2,3-dichloro-buth-2-ene-1,4-diol O. A. LodochnikovaL. Z. LatypovaI. A. Litvinov Brief Communications 26 March 2013 Pages: 213 - 216
Single crystal X-ray structure of 2,6-di-tert-butyl-4-(3-(4-chlorophenyl)-4-methyl-4,5-dihydroisoxazol-5-yl)phenol 1,4-dioxane hemisolvate M. RimazJ. KhalafyS. W. Joo Brief Communications 26 March 2013 Pages: 217 - 222
Lanthanide(III) chelates as MRI contrast agents: A brief description H. Ur. RashidK. YuJ. Zhou Brief Communications 26 March 2013 Pages: 223 - 249
Potential energy curves and calculations of spectroscopic constants for the ground state of AlC and AlN X. LiuY. YangC. Shi Brief Communications 26 March 2013 Pages: 250 - 254
Photoelectron spectra of powder and single crystalline chromium-copper disulfides E. V. KorotaevN. N. PeregudovaA. Yu. Pichugin Brief Communications 26 March 2013 Pages: 255 - 258
A multinuclear 1H, 13C, and 15N magnetic resonance study of ten 4-nitropyridine N-oxides A. PuszkoK. LaihiaZ. Talik Brief Communications 26 March 2013 Pages: 259 - 263
Crystal structure of (η5-pentamethylcyclo-pentadienyl)(methyldiphenylphosphite-P)dichlororhodium(III) M. NieuwenhuyzenG. C. Saunders Brief Communications 26 March 2013 Pages: 264 - 268
Characterization, and crystal structure of thiophenyl-2-methylidene-2-aminophenol A. CuinG. A. PereiraP. P. Corbi Brief Communications 26 March 2013 Pages: 269 - 273
Crystal and molecular structure of 4-chloro×(benzoyloxymethyl)trifluorosilane at 120 K È. A. Zel’bstA. A. KorlyukovM. G. Voronkov Brief Communications 26 March 2013 Pages: 274 - 276