Shells theory of solvation and the long-range Born correction Josefredo R. Pliego Jr Regular Article 11 November 2010 Pages: 275 - 283
Rare earth element doping effect on the bonding and the transport property of δ-MoN Jing YuGuiling ZhangZesheng Li Regular Article 21 November 2010 Pages: 285 - 293
Minimally augmented Karlsruhe basis sets Jingjing ZhengXuefei XuDonald G. Truhlar Regular Article 01 December 2010 Pages: 295 - 305
Laser control of double proton transfer in porphycenes: towards an ultrafast switch for photonic molecular wires Mahmoud K. Abdel-LatifOliver Kühn Regular Article 13 November 2010 Pages: 307 - 316
Theoretical studies and rate constants calculation for the reactions of acetone with fluorine and bromine atoms Hui ZhangGui-ling ZhangZe-sheng Li Regular Article 13 November 2010 Pages: 317 - 325
Thermolysis of 2-methyloxetane: a computational study J. Martín-OrtizJ. J. Quirante Regular Article 12 December 2010 Pages: 327 - 339
Unimolecular decomposition mechanism of vinyl alcohol by computational study Ju-Xiang ShaoChun-Ming GongJun Li Regular Article 14 December 2010 Pages: 341 - 348
Theoretical study of the gas-phase Fe+-mediated oxidation of ethane by N2O Lianming ZhaoWenyue GuoXiaoqing Lu Original Paper 24 December 2010 Pages: 349 - 358
Theoretical studies on N-loss predissociation mechanisms of N2O+ (A 2Σ+) in C s symmetry Qingyong MengHai-Bo ChangHua Dong Regular Article 17 December 2010 Pages: 359 - 365
Copper formal oxidation states above +1 in organometallic chemistry: the possibility of synthesizing cyclopentadienylcopper chlorides by oxidative addition reactions Congzhi WangXiuhui ZhangHenry F. Schaefer Regular Article 05 January 2011 Pages: 367 - 376
Interaction of chemically modified tetracyclines with catalytic Zn(II) ion in matrix metalloproteinase: evidence for metal coordination sites Bruna L. MarcialLuiz Antônio S. CostaHélio F. Dos Santos Regular Article 06 January 2011 Pages: 377 - 388