Nobel Prize and structural chemistry II Balazs HargittaiIstván Hargittai Editorial 13 January 2012 Pages: 1 - 5
Quantum chemical investigation on structures of pyrrolic amides functionalized (5,5) single-walled carbon nanotube and their binding with halide ions Siwinee TetasangSomchai KeawwangchaiVithaya Ruangpornvisuti Original Research 28 July 2011 Pages: 7 - 15
Theoretical investigation on the structural and electronic properties of complexes formed by thymine and 2′-deoxythymidine with different anions Mehdi Shakourian-FardAlireza Fattahi Original Research 29 July 2011 Pages: 17 - 28
Geometrical structures and possible dissociation channels of MnP n + (n = 2–8) binary cluster ions Xiangjun KuangXinqiang WangGaobin Liu Original Research 02 August 2011 Pages: 29 - 35
Cyclic and ladder hydrogen bonded cyanamide oligomers: a density functional theory and many-body analysis approach Bhagwat KharatVinayak DeshmukhAjay Chaudhari Original Research 02 August 2011 Pages: 37 - 45
Influence of conformational rigidity on membrane properties of polyimides Inga A. RonovaMaria Bruma Original Research 02 August 2011 Pages: 47 - 54
Hydrothermal syntheses, crystal structures and luminescent properties of two novel silver (I) complexes with 5-methyl-2-pyrazinecarboxylate Fumin WangSanping ChenShengli Gao Original Research 03 August 2011 Pages: 55 - 60
Synthesis and stereochemistry of new spiro[5.5]undecane derivatives with 1,3-dioxane, 1,3-dithiane, or 1,3-oxathiane rings Alin MihişLigia Mirabela GolbanIon Grosu Original Research 03 August 2011 Pages: 61 - 69
Synthesis, characterization, and molecular structure of Ru(II) complex containing 2,5-pyridinedicarboxylic acid J. G. Małecki Original Research Open access 04 August 2011 Pages: 71 - 77
Crystal structures, luminescent properties and thermal decomposition kinetics of some binuclear lanthanide complexes with 2,3-dichlorobenzoic acid anion and 2,2′-bipyridine Shu-Jing SunJuan-Fen WangShu-Ping Wang Original Research 05 August 2011 Pages: 79 - 89
Coexistence of two conformational isomeric chains in a zinc(II) phosphonate induced by π···π stacking interactions Xiaokang LiYuhui SunZiyi Du Original Research 05 August 2011 Pages: 91 - 96
Molecular designing and DFT investigation of novel alternating donor–acceptor dibenzo[b,d]thiophen-based systems: from monomer to polymer Lidan DengWei ShenMing Li Original Research 05 August 2011 Pages: 97 - 106
Theoretical study of the mechanism for the ClOO + NO reaction on the singlet potential energy surface Yang SunMiao Sun Original Research 06 August 2011 Pages: 107 - 114
Marine sponge melanin: a new source of an old biopolymer Marco AraujoJoana R. XavierMadalena Humanes Original Research 07 August 2011 Pages: 115 - 122
Scaling trend in diffusion coefficients of low generation G0–G3 PAMAM dendrimers in aqueous solution at high and neutral pH Verónica A. JiménezJosé A. GavínJoel B. Alderete Original Research 07 August 2011 Pages: 123 - 128
A supramolecular complex based on poly-Keggin-anion chains: synthesis, structure characterization, and conductivity Mei-Lin WeiHui-Hua LiJun-Hua Wang Original Research 07 August 2011 Pages: 129 - 136
A curious conformational property of 2-amino-4-thiazolyl-methoxyimino polymers exhibiting activity against HIV-1 reverse transcriptase Karolina A. KillAngela C. SmithDonald B. Boyd Original Research 10 August 2011 Pages: 137 - 145
Protein–ligand interaction of T. cruzi trans-sialidase inhibitors: a docking and QM/MM MD study Anderson Henrique LimaJerônimo LameiraCláudio Nahum Alves Original Research 12 August 2011 Pages: 147 - 152
Crystal structure and thermal decomposition mechanism of a 5-aminotetrazole copper(II) complex Hongyan ChenTonglai ZhangJianguo Zhang Original Research 12 August 2011 Pages: 153 - 159
Understanding hydrogen bonding of hydroxamic acids with some amino acid side chain model molecules Damanjit kaurRuchi Kohli Original Research 12 August 2011 Pages: 161 - 173
4,5-, 3,6-, and 3,4,5,6-tert-Butylsulfanylphthalonitriles: synthesis and comparative structural and spectroscopic analyses Ufuk KumruFabienne DumoulinVefa Ahsen Original Research 17 August 2011 Pages: 175 - 183
Stability of HIV-1 integrase–ligand complexes: the role of coordinating bonds F. V. GrigorievA. Yu. GolovachevaM. D. Dutov Original Research 18 August 2011 Pages: 185 - 195
Paradigms and paradoxes: O- and N-protonated amides, stabilization energy, and resonance energy Jessica MorganArthur GreenbergJoel F. Liebman Original Research 18 August 2011 Pages: 197 - 199
Theoretical study of the ozonolysis of allyl acetate: mechanism and kinetics Maoxia HeYanhui SunJingtian Hu Original Research 24 August 2011 Pages: 201 - 208
Structural studies of seven homoisoflavonoids, six thiohomoisoflavonoids, and four structurally related compounds Arto ValkonenKatri LaihiaPál Perjési Original Research 24 August 2011 Pages: 209 - 217
Conformational rigidity and dielectric properties of polyimides Inga A. RonovaMaria BrumaHans-Werner Schmidt Original Research 26 August 2011 Pages: 219 - 226
Structure and coordination in mono and dinuclear Zn(II)-pyrrolidine dithiocarbamate complexes Deepanwita GhoshKaushik SenAbhijit K. Das Original Research 26 August 2011 Pages: 227 - 235
Theoretical and computational modelling of functionalization energy for the \( {\rm{C}}_{{6{n}}^{2}} {\rm{H}}_{6{n}} \) polycyclic aromatic hydrocarbons (PAHs) homologue series Massimo Fusaro Original Research Open access 27 August 2011 Pages: 237 - 243
A comparison of X-ray crystal structures including methyl 3,5-bis(hydroxymethyl)benzoate, its phenylethynyl extended derivative in polymorphous forms and the corresponding carboxylic acids Felix KatzschDiana EißmannEdwin Weber Original Research 27 August 2011 Pages: 245 - 255
N–H···O=P hydrogen-bonded dimers as the main structural motif of aminophosphonate diesters Marina JuribašićLisa BellottoLjerka Tušek-Božić Original Research 30 August 2011 Pages: 257 - 266
First principle study of CrF n (n = 1–7) nano clusters: An investigation of superhalogen properties Shamoon Ahmad Siddiqui Original Research 30 August 2011 Pages: 267 - 274
Hydrothermal synthesis, crystal structure, and photoluminescence of novel lanthanide metal organic frameworks constructed from 1,4-benzene-dicarboxylic acid and 1,2,4,5-benzenetetracarboxylic acid as ligands Jian-Ling WangKe-Ling HouZhan Shi Original Research 06 September 2011 Pages: 275 - 285
Molecular structure of p-diisocyanobenzene from gas-phase electron diffraction and theoretical calculations and effects of intermolecular interactions in the crystal on the benzene ring geometry Anna Rita CampanelliAldo DomenicanoIstván Hargittai Original Research 15 October 2011 Pages: 287 - 295