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Showing results 12 to 31 of 79

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

Chiral Transformation in Protonated and Deprotonated Adipic Acids through Multistep Internal Proton TransferSCIESCOPUS

CHEMISTRY-A EUROPEAN JOURNAL, vol. 16, no. 34, page. 10373 - 10379, 2010-10

Article

CO2 Capturing Mechanism in Aqueous Ammonia: NH3-Driven Decomposition-Recombination PathwaySCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY LETTERS, vol. 2, no. 7, page. 689 - 694, 2011-04-07

Article

Comparative ab initio study of the structures, energetics and spectra of X-center dot(H2O)(n=1-4) [X=F, Cl, Br, I] clustersSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 113, no. 13, page. 5259 - 5272, 2000-10-01

Article

Comparison of cationic, anionic and neutral hydrogen bonded dimersSCIESCOPUS

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol. 12, no. 23, page. 6278 - 6287, 2010-01

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

De novo design approach based on nanorecognition toward development of functional molecules/materials and nanosensors/nanodevicesSCIESCOPUS

PURE AND APPLIED CHEMISTRY, vol. 79, no. 6, page. 1057 - 1075, 2007-06

Article

Designing ionophores and molecular nanotubes based on molecular recognitionSCIESCOPUS

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

Article

Dissociation chemistry of hydrogen halides in waterSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 120, no. 20, page. 9524 - 9535, 2004-05-22

Article

Dissolution nature of the lithium hydroxide by water moleculesSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 123, no. 8, 2005-08-22

Article

Dissolution of a base (RbOH) by water clustersSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 121, no. 10, page. 4665 - 4670, 2004-09-08

Article

Effect of ion concentration in the ionomers used as an electron injecting layer in polymer light-emitting diodesSCIESCOPUS

SYNTHETIC METALS, vol. 111, page. 225 - 227, 2000-06-01

Article

Extracellular membrane vesicles from tumor cells promote angiogenesis via sphingomyelin.SCIESCOPUS

CANCER RESEARCH, vol. 62, no. 21, page. 6312 - 6317, 2002-11-01

Article

Geometrical and electronic structures of gold, silver, and gold-silver binary clusters: Origins of ductility of gold and gold-silver alloy formationSCIESCOPUS

JOURNAL OF PHYSICAL CHEMISTRY B, vol. 107, no. 37, page. 9994 - 10005, 2003-09-18

Article

H-2-Binding by Neutral and Multiply Charged Titaniums: Hydrogen Storage Capacity of Titanium Mono- and DicationsSCIESCOPUS

JOURNAL OF CHEMICAL THEORY AND COMPUTATION, vol. 7, no. 4, page. 969 - 978, 2011-04

Article

HF(H2O)(n) clusters with an excess electron: Ab initio studySCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 121, no. 22, page. 11083 - 11087, 2004-12-08

Article

Highly stereospecific epimerization of alpha-amino acids: Conducted tour mechanismSCIESCOPUS

JOURNAL OF ORGANIC CHEMISTRY, vol. 68, no. 17, page. 6571 - 6575, 2003-08-22

Article

How can we make stable linear monoatomic chains? Gold-cesium binary subnanowires as an example of a charge-transfer-driven approach to alloyingSCIESCOPUS

PHYSICAL REVIEW LETTERS, vol. 98, no. 7, 2007-02-16

Article

Hydrated copper and gold monovalent cations: Ab initio studySCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 122, no. 6, 2005-02-08

Article

Hydrated hydride anion clustersSCIESCOPUS

JOURNAL OF CHEMICAL PHYSICS, vol. 127, no. 16, 2007-10-28

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