The Human Genome Project—A triumph (also) of structural chemistry: On Victor McElheny’s new book, Drawing the Map of Life István Hargittai Editorial 26 June 2010 Pages: 667 - 671
Molecular geometries, electronic properties, and vibrational spectroscopic studies of endohedral metallofullerenes TM@C24 and TM@C24H12 (TM = Cr, Mo, and W) Julong WuZhicheng SunMaosheng Tian Original Research 05 March 2010 Pages: 673 - 680
The proton transfer process observed in the structure analysis and DFT calculations of (E)-2-ethoxy-6-[(2-methoxyphenylimino)methyl]phenol Hande PetekÇiğdem AlbayrakOrhan Büyükgüngör Original Research 10 March 2010 Pages: 681 - 690
Theoretical study of a conjugated aromatic molecular wire Davood FarmanzadehZeinab Ashtiani Original Research 23 February 2010 Pages: 691 - 699
Syntheses, crystal, and molecular structures of Mn(II), Zn(II), and Ce(III) compounds and solution studies of Mn(II), Ni(II), Cu(II), Zn(II), Cd(II), and Ce(III) compounds obtained from a suitable proton transfer compound containing bda and pydcH2 (bda = butane-1,4-diamine; pydcH2 = pyridine-2,6-dicarboxylic acid) Hossein AghabozorgLeila RoshanMohammad Ghadermazi Original Research 11 March 2010 Pages: 701 - 714
Molecular structures and electronic properties of helical thiophene carbon–sulfur oligomers, H2(C2S) n C2H2 (n = 1–20) Banchob WannoVithaya Ruangpornvisuti Original Research 24 March 2010 Pages: 715 - 725
Conceptual density functional theory study on dichloropyridines as ambiphilic molecules Afshan MohajeriMojtaba Alipour Original Research 20 March 2010 Pages: 727 - 733
Binding of ansa- and non-ansa-titanocene anticancer drugs to DNA: a DFT study Chunqiang DengLixin Zhou Original Research 11 March 2010 Pages: 735 - 744
Syntheses and characterizations of trinuclear and dinuclear “half-sandwich” zirconocene phosphates and phosphonates Rufen ZhangCuiping LiMa Chunlin Original Research 06 April 2010 Pages: 745 - 753
Influence of the basis set on the calculation of the absolute 13C shieldings of methyl derivatives (CH3X with X = CH3, CN, NH2, NO2, OH, F) with special emphasis in the cases of X = Cl, Br, SH, SeH, and PH2 Ibon AlkortaJosé Elguero Original Research 08 April 2010 Pages: 755 - 759
Synthesis, X-ray studies, spectroscopic investigation, and DFT calculations of [ReBr3(dppt)(OPPh3)] B. MachuraM. WolffJ. Mroziński Original Research 20 April 2010 Pages: 761 - 769
Channel inclusion of primary alcohols in isostructural solvates of the antiretroviral nevirapine: an X-ray and thermal analysis study Nicole StiegerWilna LiebenbergMino R. Caira Original Research 20 April 2010 Pages: 771 - 777
Self-assembly as a route to dinuclear lanthanide complexes with rare coordination pattern of salen-type ligand Małgorzata T. KaczmarekMaciej KubickiWanda Radecka-Paryzek Original Research 27 April 2010 Pages: 779 - 786
Gas-phase conformations and exciton couplings in 5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene Abdulhamid Hamza Original Research 23 April 2010 Pages: 787 - 793
A joint theoretical and experimental structural study of two novel 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine derivatives Filiz Betül KaynakSevim Peri AytaçBirsen Tozkoparan Original Research 23 April 2010 Pages: 795 - 802
Comparison of the molecular structures of five benzene derivatives as determined independently by gas-phase electron diffraction in two different laboratories: a perspective Anna Rita CampanelliAldo DomenicanoIstván Hargittai Original Research 27 April 2010 Pages: 803 - 808
Experimental and theoretical studies on the reactions of 1-amino-5-benzoyl-4-phenyl-1H-pyrimidine-2-one/-thione compounds with ethyl acetoacetate Zülbiye ÖnalIsmail YildirimTaner Arslan Original Research 24 April 2010 Pages: 809 - 816
Study of cis–trans isomerization mechanism of 3,3′-azobenzene disulphonate in the lowest singlet and triplet electronic states by density functional theory Yue ZhuMin PuDavid G. Evans Original Research 23 April 2010 Pages: 817 - 825
Tricarbonyltechnetium(I) and tricarbonylrhenium(I) complexed with N-methyl-2-pyridinecarboxyamide as potential radiopharmaceuticals: a computational study L. FuksE. GniazdowskaN. Sadlej-Sosnowska Original Research 09 May 2010 Pages: 827 - 835
Syntheses, spectroscopic and crystallographic characterizations of 4-nitrobenzyloxy derivatives and benzofurans from ortho-substituted benzaldehydes and 4-nitrobenzyl bromide Zeliha HayvaliHakan DalTuncer Hökelek Original Research 09 May 2010 Pages: 837 - 845
First-principles study of electronic structure, absorption spectra, and thermodynamic properties of crystalline 1H-tetrazole and its substituted derivatives Weihua ZhuHeming Xiao Original Research 12 May 2010 Pages: 847 - 854
Density functional theory and topological analysis on the hydrogen bonds in cysteine–propanoic acid complexes Zhengguo HuangLei YuYumei Dai Original Research 12 May 2010 Pages: 855 - 862
Density functional theory and topological analysis on the hydrogen bonding interactions in N-protonated adrenaline–DMSO complexes Zhengguo HuangYumei DaiLei Yu Original Research 18 May 2010 Pages: 863 - 872
Oxidation effect on double H-bonded imidazole–adenine–imidazole trimer Pei Ying CuiLian Qin MengBing Ping Liu Original Research 13 May 2010 Pages: 873 - 878
Insertion reactions of the p-complex structure of silylenoid into C–X bonds (X = F, Cl, Br, O, and N) Yuhua QiZonggang MuDacheng Feng Original Research 18 May 2010 Pages: 879 - 884
Conformational analysis of dibenzo[a,e]cyclooctadiene and three related heterocyclic compounds Ibon AlkortaJosé Elguero Original Research 19 May 2010 Pages: 885 - 891
Two 3D supramolecules with helices constructed by hydrogen bonds based on p-thioacetatebenzoic acid ligand Cai-Hong ZhanYun-Long Feng Original Research 27 May 2010 Pages: 893 - 899