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Article
Solvent-driven structural changes in anion-pi complexesSCIESCOPUS

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 4, no. 7, page. 1162 - 1169, 2008-07

Article
Carbon nanotube, graphene, nanowire, and molecule-based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles theorySCIESCOPUS

JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 29, no. 7, page. 1073 - 1083, 2008-05

Article
Charge-transfer-to-solvent-driven dissolution dynamics of I-(H2O)(2-5) upon excitation: Excited-state ab initio molecular dynamics SimulationsSCIESCOPUS

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 130, no. 1, page. 103 - 112, 2008-01-09

Article
Eigen and Zundel forms of small protonated water clusters: Structures and infrared spectraSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 111, no. 42, page. 10692 - 10702, 2007-10-25

Article
Ratcheting behaviour and mean stress considerations in uniaxial low-cycle fatigue of Inconel 718 at 649 degrees CSCIESCOPUS

FATIGUE & FRACTURE OF ENGINEERING MATERIALS & STRUCTURES, vol. 30, no. 11, page. 1076 - 1083, 2007-11

Article
Large-scale polyol synthesis of single-crystal bismuth nanowires and the role of NaOH in the synthesis processSCIESCOPUS

NANOTECHNOLOGY, vol. 19, no. 26, 2008-07-02

Article
Complete basis set limit of ab initio binding energies and geometrical parameters for various typical types of complexesSCIESCOPUS

JOURNAL OF COMPUTATIONAL CHEMISTRY, vol. 29, no. 8, page. 1208 - 1221, 2008-06

Article
Designing ionophores and molecular nanotubes based on molecular recognitionSCIESCOPUS

SUPRAMOLECULAR CHEMISTRY, vol. 19, no. 39908, page. 321 - 332, 2007-01

Article
Cation-pi-anion interaction: A theoretical investigation of the role of induction energiesSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 111, no. 32, page. 7980 - 7986, 2007-08-16

Article
Undissociated versus dissociated structures for water clusters and ammonia-water clusters: (H2O)(n) and NH3(H2O)(n-1) (n=5, 8, 9, 21). Theoretical studySCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY A, vol. 112, no. 29, page. 6527 - 6532, 2008-07-24

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