A theoretical investigation of hydrogen bonding effects on oxygen and hydrogen chemical shielding tensors of aspirin Mehdi D. EsrafiliVahideh Alizadeh Original Research 01 June 2011 Pages: 1195 - 1203
Density functional study of super cell N-doped (10,0) zigzag single-walled carbon nanotubes as CO sensor Masood HamadanianBahram KhoshnevisanForough Kalantari Fotooh Original Research 05 June 2011 Pages: 1205 - 1211
A theoretical charge density study on nitrogen-rich 4,4′,5,5′-tetranitro-2,2′-bi-1H-imidazole (TNBI) energetic molecule P. SrinivasanS. N. AsthanaP. Kumaradhas Original Research 09 June 2011 Pages: 1213 - 1220
Paradigms and paradoxes: the aromaticity of 6:6 fused carbocycles and heterocycles as an extension of a study of indane and indene derivatives Margarida S. MirandaM. Agostinha R. MatosJoel F. Liebman Original Research 11 June 2011 Pages: 1221 - 1224
Structural insight into repeated-rhomboid coordination polymers from 4,4′-dithiodipyridine and zinc nitrate Rüdiger W. SeidelChristina DietzIris M. Oppel Original Research 14 June 2011 Pages: 1225 - 1232
Synthesis, characterization, crystal structure and cytotoxicity of 2,4-bis(selenomethyl)quinazoline Daniel PlanoElena IbáñezCarmen Sanmartín Original Research 17 June 2011 Pages: 1233 - 1240
Spectroscopic characterizations, X-ray studies, and electronic circular dichroism calculations of two alkaloid triterpenoids Xiao-Bing WangYao ZhangLing-Yi Kong Original Research 17 June 2011 Pages: 1241 - 1248
Three forms of squaric acid with pyrazine and pyridine derivatives: an experimental and theoretical study Ufuk Korkmazİbrahim UçarOrhan Büyükgüngör Original Research 17 June 2011 Pages: 1249 - 1259
The effect of surface curvature of aluminum nitride nanotubes on the adsorption of NH3 Ali AhmadiMohammad KamfirooziNasser L. Hadipour Original Research 17 June 2011 Pages: 1261 - 1265
Influence of different aryl substitution on the crystal structures of benzil monohydrazone and dibenzil azine parent compounds Marcel WielandWilhelm SeichterEdwin Weber Original Research 21 June 2011 Pages: 1267 - 1279
Controlled growth of flower-like, rod-like, and snowflake-like ZnO nanostructures using agarose as biotemplate and its photoluminescence property Priya MishraRaghvendra S. YadavAvinash C. Pandey Original Research 24 June 2011 Pages: 1281 - 1286
Helix and H-bond formations of alanine-based peptides containing basic amino acids Balázs LeitgebGábor JanzsóFerenc Bogár Original Research 26 June 2011 Pages: 1287 - 1295
Synthesis, crystal structures, and fluorescence properties of two dinuclear cadmium(II) complexes derived from N-isopropyl-N′-(1-pyridin-2-ylethylidene)ethane-1,2-diamine Zhong-Lu YouXiao-Ling WangXiao-Shuang Zhou Original Research 28 June 2011 Pages: 1297 - 1302
Assessment of Gaussian-4 theory for the computation of enthalpies of formation of large organic molecules Olga V. DorofeevaInna N. KolesnikovaOxana N. Ryzhova Original Research 08 July 2011 Pages: 1303 - 1314
Quantitative structure–property relationship prediction of liquid thermal conductivity for some alcohols Aboozar KhajehHamid Modarress Original Research 08 July 2011 Pages: 1315 - 1323
Platinum precursor of anticancer drug: a structure fixed by long intermolecular N–H···I and C–H···I hydrogen bonds Richard PažoutJitka HouskováPetr Kačer Original Research 08 July 2011 Pages: 1325 - 1330
Mechanistic study on the atmospheric formation of acid rain base on the sulfur dioxide Morteza VahedpourFatemeh Zolfaghari Original Research 08 July 2011 Pages: 1331 - 1338
New assembly of organic components and transition metal complexes based on [VMo6O22]3− and [V2Mo6O26]6− building blocks: syntheses, crystal structures, and magnetic properties Jianmei LiLin XuFengyan Li Original Research 10 July 2011 Pages: 1339 - 1345
Hydrogen bonding interactions between α-, β-glucose, and methacrylic acid Zahra ShariatiniaMauricio F. ErbenSaman Azodi Original Research 10 July 2011 Pages: 1347 - 1352
Theoretical study of anticancer drug trans-[Pd(dmnp)2Cl2] binding to DNA purine bases, phosphate group and amino acid residues Bo JiangLixin Zhou Original Research 12 July 2011 Pages: 1353 - 1364
Syntheses, crystal, molecular structures, and solution studies of Cu(II), Co(II), and Zn(II) coordination compounds containing pyridine-2,6-dicarboxylic acid and 1,4-pyrazine-2,3-dicarboxylic acid: comparative computational studies of Cu(II) and Zn(II) complexes M. MirzaeiH. Eshtiagh-HosseiniE. Karami Original Research 12 July 2011 Pages: 1365 - 1377
Structure-based evaluation of the resonance interactions and effectiveness of the charge transfer in nitroamines Ryszard GawineckiErkki KolehmainenRobert Dobosz Original Research Open access 13 July 2011 Pages: 1379 - 1383
Analogy between sulfuryl and phosphino groups: the aromaticity of thiophene-oxide Oldamur HollóczkiLászló Nyulászi Original Research 26 July 2011 Pages: 1385 - 1392
Marelene Rayner-Canham and Geoff Rayner-Canham, Chemistry was their life: Pioneering British women chemists, 1880–1949 Magdolna Hargittai Book Review 21 August 2011 Pages: 1393 - 1395
Kenny B. Lipkowitz (ed): Reviews in computational chemistry, Volume 27 Donald Brenner Book Review 07 September 2011 Pages: 1397 - 1399
