Works matching IS 00207608 AND DT 2010 AND VI 110 AND IP 5

Results: 20

A general method to obtain Sturmian functions for continuum and bound state problems with Coulomb interactions.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 963, doi. 10.1002/qua.22029

By:

Frapiccini, A. L.;
Randazzo, J. M.;
Gasaneo, G.;
Colavecchia, F. D.

Publication type:

Article

High-lying core-excited quartet states in Li-like N4+ and F6+ ions.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1108, doi. 10.1002/qua.22470

By:

Zhuo, Lin;
Chen, Feng;
Gou, Bing Cong

Publication type:

Article

Theoretical study of the Michael addition of acetylacetone to methyl vinyl ketone catalyzed by the ionic liquid 1-butyl-3-methylimidazolium hydroxide.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1056, doi. 10.1002/qua.22028

By:

Wei, Xiaofeng;
Zhang, Dongju;
Zhang, Changqiao;
Liu, Chengbu

Publication type:

Article

Quantum computing measurement and intelligence.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 981, doi. 10.1002/qua.22056

By:

Ezziane, Zoheir

Publication type:

Article

Orientation of endohedral H2, CO, and LiH inside heptagon-containing C58 and C58H18.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1080, doi. 10.1002/qua.22070

By:

Sun, Lili;
Chang, Yingfei;
Tang, Shuwei;
Wang, Rongshun

Publication type:

Article

Molecular interaction energies and optimal configuration of a cubane dimer.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1063, doi. 10.1002/qua.22073

By:

Nikolaev, Alexander V.;
Verberck, Bart;
Ionova, Galina V.

Publication type:

Article

Calculations of D-wave bound states and resonance states of the screened helium atom using correlated exponential wave functions.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 993, doi. 10.1002/qua.22074

By:

Kar, Sabyasachi;
Ho, Y. K.

Publication type:

Article

Erratum: Periodicity in proton conduction along a H-bonded chain. Application to biomolecules.

Published in:

2010

By:

Isaev, Alexander;
Kar, Tapas;
Scheiner, Steve

Publication type:

Erratum

A density functional study of 1,1,5-tris(4-dimethylaminophenyl)-3-methyl-divinylene.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1041, doi. 10.1002/qua.22087

By:

Fellah, Mehmet Ferdi;
Onal, Isik

Publication type:

Article

δ and σ vs. π conflicting aromatic pentagonal ring of tungsten with a planar pentacoordinate carbon at the ring center.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1086, doi. 10.1002/qua.22094

By:

Yamaguchi, Wataru

Publication type:

Article

Theoretical determination of lowest structures of all-metal aromatic clusters M4L2 (M = Al, Ga, In, Tl; L = Li, Na, K, Rb, Cs).

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1127, doi. 10.1002/qua.22108

By:

Mang, Chaoyong;
Liu, Caiping;
Wu, Kechen

Publication type:

Article

Superconductivity in cuprates: Details of electron phonon coupling.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1117, doi. 10.1002/qua.22125

By:

Larsson, Sven

Publication type:

Article

Broken symmetry density functional study of a mixed-valence unsymmetrical dinuclear iron complex.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1048, doi. 10.1002/qua.22086

By:

Ferreira, Dalva E. C.;
De Almeida, Wagner B.;
Neves, Ademir;
Rocha, Willian R.

Publication type:

Article

Bonding in titanocenyl complexes containing O,O′-cyclic ligands.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1100, doi. 10.1002/qua.22142

By:

Conradie, Jeanet

Publication type:

Article

Hydrogen bonding interaction between 1,4-dioxane and water.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1092, doi. 10.1002/qua.22143

By:

Chaudhari, Ajay

Publication type:

Article

Theoretical electronic studies of aluminum monobromide and aluminum monoiodide.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1030, doi. 10.1002/qua.22145

By:

Hamade, Y.;
Taher, F.;
Monteil, Y.

Publication type:

Article

A DFT investigation of dissociation of nitrous acid, transformation of its monomeric isomers, their dimeric isomers, and dimerization.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1019, doi. 10.1002/qua.22146

By:

Ruangpornvisuti, Vithaya

Publication type:

Article

Dynamical properties and thermal rate coefficients for the Na + HF reaction using genetic algorithm.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1070, doi. 10.1002/qua.22152

By:

Antunes, Adoniel W. S.;
Ferreira Da Cunha, Wiliam;
Magela E Silva, Geraldo;
Martins, João B. L.;
Gargano, Ricardo

Publication type:

Article

Quantum chemical studies of some rhodanine azosulpha drugs as corrosion inhibitors for mild steel in acidic medium.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 1003, doi. 10.1002/qua.22249

By:

Ebenso, Eno E.;
Arslan, Taner;
Kandemirli, Fatma;
Caner, Necmettin;
Love, Ian

Publication type:

Article

A 3D graphical representation of DNA sequence based on numerical coding method.

Published in:

International Journal of Quantum Chemistry, 2010, v. 110, n. 5, p. 975, doi. 10.1002/qua.22081

By:

Cao, Zhi;
Li, Renfa;
Chen, Weiyang

Publication type:

Article

Works matching IS 00207608 AND DT 2010 AND VI 110 AND IP 5

A general method to obtain Sturmian functions for continuum and bound state problems with Coulomb interactions.

High-lying core-excited quartet states in Li-like N<sup>4+</sup> and F<sup>6+</sup> ions.

Theoretical study of the Michael addition of acetylacetone to methyl vinyl ketone catalyzed by the ionic liquid 1-butyl-3-methylimidazolium hydroxide.

Quantum computing measurement and intelligence.

Orientation of endohedral H<sub>2</sub>, CO, and LiH inside heptagon-containing C<sub>58</sub> and C<sub>58</sub>H<sub>18</sub>.

Molecular interaction energies and optimal configuration of a cubane dimer.

Calculations of D-wave bound states and resonance states of the screened helium atom using correlated exponential wave functions.

Erratum: Periodicity in proton conduction along a H-bonded chain. Application to biomolecules.

A density functional study of 1,1,5-tris(4-dimethylaminophenyl)-3-methyl-divinylene.

δ and σ vs. π conflicting aromatic pentagonal ring of tungsten with a planar pentacoordinate carbon at the ring center.

Theoretical determination of lowest structures of all-metal aromatic clusters M<sub>4</sub>L<sub>2</sub> (M = Al, Ga, In, Tl; L = Li, Na, K, Rb, Cs).

Superconductivity in cuprates: Details of electron phonon coupling.

Broken symmetry density functional study of a mixed-valence unsymmetrical dinuclear iron complex.

Bonding in titanocenyl complexes containing O,O′-cyclic ligands.

Hydrogen bonding interaction between 1,4-dioxane and water.

Theoretical electronic studies of aluminum monobromide and aluminum monoiodide.

A DFT investigation of dissociation of nitrous acid, transformation of its monomeric isomers, their dimeric isomers, and dimerization.

Dynamical properties and thermal rate coefficients for the Na + HF reaction using genetic algorithm.

Quantum chemical studies of some rhodanine azosulpha drugs as corrosion inhibitors for mild steel in acidic medium.

A 3D graphical representation of DNA sequence based on numerical coding method.