Alexander G. Ogston’s Centennial: Researcher of hyaluronic acid and other biopolymers Istvan Hargittai EDITORIAL 02 March 2011 Pages: 489 - 496
Ab initio and DFT conformational study on nitrosamine (H2N–N=O) and N-Nitrosodimethylamine [(CH3)2N–N=O] Silmar A. do MonteElizete VenturaSidney R. de Santana Original Research 29 December 2010 Pages: 497 - 507
MP2 study on the hydrogen-bonding interaction between 5-hydroxymethyl-uracil and DNA bases: A, C, G, T Zai Ming QiuHua Zhen CaiHai Jun Wang Original Research 29 December 2010 Pages: 509 - 516
A density functional theory study on the Ag n H (n = 1–10) clusters Xiangjun KuangXinqiang WangGaobin Liu Original Research 30 December 2010 Pages: 517 - 524
Exploring the structural, electronic and optical properties of furan-2-carboxaldehyde and 2-acetylthiophene nicotinoylhydrazone Agata Trzesowska-Kruszynska Original Research Open access 30 December 2010 Pages: 525 - 535
Insights into amine-based CO2 capture: an ab initio self-consistent reaction field investigation Phil JacksonAriana BesteMoetaz Attalla Original Research Open access 30 December 2010 Pages: 537 - 549
Theoretical investigation of the equilibrium structure of the FSO3 radical Tereza UhlíkováŠtěpán Urban Original Research 07 January 2011 Pages: 551 - 557
A 1D zinc(II) polymer with W-like pentanuclear secondary building blocks constructed by 2,6-pyridine-diacylhydrazone ligand Suni QinHaiming HuangFupei Liang Original Research 15 January 2011 Pages: 559 - 565
A computational study on the nature of the halogen bond between sulfides and dihalogen molecules Xueying ZhangYanli ZengShijun Zheng Original Research 23 January 2011 Pages: 567 - 576
Theoretical studies on a series of 1,2,3-triazoles derivatives as potential high energy density compounds Xiao-Hong LiRui-Zhou ZhangXian-Zhou Zhang Original Research 23 January 2011 Pages: 577 - 587
Theoretical study on the reaction mechanism of the OH-initiated oxidation of CH2=C(CH3)CH2CH2OH Benni DuWeichao Zhang Original Research 23 January 2011 Pages: 589 - 604
Syntheses, structures, and properties of two binuclear cadmium(II) iodides containing a bis(tridentate) Schiff base/tetradentate tripodal amine: control of coordination numbers by varying ligand matrices Smita SatapathiSubhasis RoyBarindra K. Ghosh Original Research 23 January 2011 Pages: 605 - 613
Theoretical study of substituent and solvent effects on the thermodynamics for cis/trans isomerization and intramolecular rearrangements of 2,2′-diphenoquinones Sierra RayneKaya Forest Original Research 23 January 2011 Pages: 615 - 625
Complexes of lasalocid 2-naphthylmethyl ester with monovalent metal cations studied by mass spectrometry, spectroscopic and semiempirical methods Adam HuczyńskiJacek RutkowskiBogumil Brzezinski Original Research 23 January 2011 Pages: 627 - 634
Molecular structure, pKa, lipophilicity, solubility, absorption, polar surface area, and blood brain barrier penetration of some antiangiogenic agents Milan RemkoAndrej BoháčLucia Kováčiková Original Research 23 January 2011 Pages: 635 - 648
Tyrosine alkyl esters as prodrug: the structure and intermolecular interactions of l-tyrosine methyl ester compared to l-tyrosine and its ethyl and n-butyl esters Béatrice NicolaïNathalie MahéJosep-Lluis Tamarit Original Research 25 January 2011 Pages: 649 - 659
Quantum chemical investigations on the structure–property relationship of aminopolynitrotriazoles P. RaviS. K. SheeA. K. Sikder Original Research 28 January 2011 Pages: 661 - 669
Synthesis and spectral studies on some tetrahydrobenzoxanthen-11-ones: crystal and molecular structure of 9,9-dimethyl-12-(2-nitrophenyl)-8,9,10,12-tetrahydrobenzo[a]xanthen-11-one A. SethukumarMillet M. ChandyRaghavaiah Pallepogu Original Research 28 January 2011 Pages: 671 - 680
Experimental and computational studies on (Z)-1-((4-phenylamino)phenylamino)-methylene)naphthalen-2(1H)-one Gökhan AlpaslanMustafa MacitOrhan Büyükgüngör Original Research 04 February 2011 Pages: 681 - 690
Theoretical study of dihydrogen bonded clusters of water with tetrahydroborate Abedien ZabardastiNahid ZareMasume Arabpour Original Research 04 February 2011 Pages: 691 - 695
A DFT quantum mechanical study of 3-hydroxy-4-pyrone and 3-hydroxy-4-pyridinone based oxidovanadium(IV) complexes K. BiernackiAlexandre L. MagalhãesMaria Rangel Original Research 08 February 2011 Pages: 697 - 706
Modeling the allosteric effect: modification of the tautomerism by intermolecular interactions and extension to molecular wires Ibon AlkortaJosé Elguero Original Research 08 February 2011 Pages: 707 - 715
Interplay of thermochemistry and Structural Chemistry, the journal (volume 21, 2010) and the discipline Maja Ponikvar-SvetJoel F. Liebman Review Article 05 March 2011 Pages: 717 - 740
Richard E. Dickerson, Present at the Flood: How structural molecular biology came about Istvan Hargittai Book Review 10 March 2011 Pages: 741 - 743