Works matching IS 00207608 AND DT 2006 AND VI 106 AND IP 2

Results: 22

Generalized Wiener indices in hexagonal chains.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 426, doi. 10.1002/qua.20732

By:

Eu, Sen‐Peng;
Yang, Bo‐Yin;
Yeh, Yeong‐Nan

Publication type:

Article

Spectral properties of helium-like ions under strongly coupled plasma conditions.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 465, doi. 10.1002/qua.20733

By:

Sil, A. N.;
Mukherjee, P. K.

Publication type:

Article

Behavior of the Dirichlet boundary for wave functions in a class of singular potentials.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 390, doi. 10.1002/qua.20735

By:

Bandyopadhyay, S. K.;
Bhattacharyya, K.

Publication type:

Article

Exact solutions for spherically confined hydrogen-like atoms.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 478, doi. 10.1002/qua.20736

By:

Burrows, B. L.;
Cohen, M.

Publication type:

Article

General approach for the construction of hybrid orbitals.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 401, doi. 10.1002/qua.20755

By:

Álvarez‐Bajo, O.;
Lemus, R.

Publication type:

Article

Effect of water on zinc (II), cadmium (II) complexes with pyridylimidazole: Theoretical study of stability and electronic spectrum.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 490, doi. 10.1002/qua.20756

By:

Liao, Yi;
Su, Zhong‐Min;
Kan, Yu‐He;
Yue, Shu‐Mei;
Ma, Jian‐Fang;
Yang, Ji‐Hua

Publication type:

Article

CASSCF study into the mechanism for predissociation of the allyl radical.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 501, doi. 10.1002/qua.20757

By:

Shahu, Milena

Publication type:

Article

Is combining meta-GGA correlation functionals with the OPTX exchange functional useful?

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 436, doi. 10.1002/qua.20758

By:

Proynov, Emil I.;
Thakkar, Ajit J.

Publication type:

Article

Kernel energy method: Basis functions and quantum methods<FNR></FNR><FN>This article is a US Government work and, as such, is in the public domain in the United States of America. </FN>.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 447, doi. 10.1002/qua.20760

By:

Huang, Lulu;
Massa, Lou;
Karle, Jerome

Publication type:

Article

Studies of equilibrium geometries and electronic spectra for C78O4.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 526, doi. 10.1002/qua.20761

By:

Wu, Shi;
Teng, Qiwen

Publication type:

Article

Schrödinger–Riccati equation: Feasibility study for the He-isoelectronic series.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 458, doi. 10.1002/qua.20762

By:

Fraga, Serafin;
García De La Vega, José M.;
Fraga, Eric S.

Publication type:

Article

Recursion formula for electron repulsion integrals over Hermite polynomials<FNR></FNR><FN>This article was submitted for the John A. Pople Special Issue, Int J Quantum Chem 2005, 102, 5. </FN>.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 355, doi. 10.1002/qua.20763

By:

Fletcher, G. D.

Publication type:

Article

Comment on “New methods for old Coulomb few-body problems”.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 550, doi. 10.1002/qua.20764

By:

Zotev, V. S.

Publication type:

Article

Re: Comment on “New methods for old Coulomb few-body problems”.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 552, doi. 10.1002/qua.20765

By:

Harris, Frank E.;
Frolov, Alexei M.;
Smith, Vedene H.

Publication type:

Article

Reaction of CH3O2 and HO2: Ab initio characterization of dimer structure and vibrational mode analysis for reaction mechanisms.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 514, doi. 10.1002/qua.20766

By:

Zhou, Xin‐Ming;
Zhou, Zheng‐Yu;
Wu, Qun‐Yan;
Jalbout, Abraham F.;
Zhang, Nan

Publication type:

Article

Bare Coulomb field and atomic reciprocal form factor.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 485, doi. 10.1002/qua.20767

By:

Angulo, J. C.;
Romera, E.

Publication type:

Article

Ladder operators for the Kratzer oscillator and the Morse potential.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 415, doi. 10.1002/qua.20775

By:

Singh, C. Amuba;
Devi, O. Babynanda

Publication type:

Article

Feynman propagator and Slater sum for a model Hamiltonian motivated by H<STACK>+2</STACK> in an intense magnetic field.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 533, doi. 10.1002/qua.20776

By:

Amovilli, Claudio;
March, Norman H.

Publication type:

Article

Role of angular electron pair correlation in stabilizing C<STACK>2-60</STACK>.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 507, doi. 10.1002/qua.20777

By:

Difley, Seth;
Simons, Jack

Publication type:

Article

Theoretical study of structural features of endo, exo double bonds and side chain in 14α-demethylation of lanosterol.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 542, doi. 10.1002/qua.20778

By:

Cabrera‐Vivas, B. M.;
Pineda, Flor P.;
García‐Hidalgo, S.;
Múñoz‐Arenas, M. G.;
Meléndez, F. J.;
Reyes‐Ortega, Y.;
Ramírez, Juan Carlos

Publication type:

Article

Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory.

Published in:

International Journal of Quantum Chemistry, 2006, v. 106, n. 2, p. 361, doi. 10.1002/qua.20787

By:

Putz, Mihai V.

Publication type:

Article

Catalina Soriano-Correa, Angélica Raya, Juan F. Sánchez-Ruiz, Rodolfo O. Esquivel, Electronic and physicochemical properties of selected nitrofurans: A theoretical studyInternational Journal of Quantum Chemistry (2005)104(4)491–496.

Published in:: 2006
Publication type:: Erratum

Works matching IS 00207608 AND DT 2006 AND VI 106 AND IP 2

Generalized Wiener indices in hexagonal chains.

Spectral properties of helium-like ions under strongly coupled plasma conditions.

Behavior of the Dirichlet boundary for wave functions in a class of singular potentials.

Exact solutions for spherically confined hydrogen-like atoms.

General approach for the construction of hybrid orbitals.

Effect of water on zinc (II), cadmium (II) complexes with pyridylimidazole: Theoretical study of stability and electronic spectrum.

CASSCF study into the mechanism for predissociation of the allyl radical.

Is combining meta-GGA correlation functionals with the OPTX exchange functional useful?

Kernel energy method: Basis functions and quantum methods<FNR></FNR><FN>This article is a US Government work and, as such, is in the public domain in the United States of America. </FN>.

Studies of equilibrium geometries and electronic spectra for C<sub>78</sub>O<sub>4</sub>.

Schrödinger–Riccati equation: Feasibility study for the He-isoelectronic series.

Recursion formula for electron repulsion integrals over Hermite polynomials<FNR></FNR><FN>This article was submitted for the John A. Pople Special Issue, Int J Quantum Chem 2005, 102, 5. </FN>.

Comment on “New methods for old Coulomb few-body problems”.

Re: Comment on “New methods for old Coulomb few-body problems”.

Reaction of CH<sub>3</sub>O<sub>2</sub> and HO<sub>2</sub>: Ab initio characterization of dimer structure and vibrational mode analysis for reaction mechanisms.

Bare Coulomb field and atomic reciprocal form factor.

Ladder operators for the Kratzer oscillator and the Morse potential.

Feynman propagator and Slater sum for a model Hamiltonian motivated by H<STACK><sup>+</sup><sub>2</sub></STACK> in an intense magnetic field.

Role of angular electron pair correlation in stabilizing C<STACK><sup>2-</sup><sub>60</sub></STACK>.

Theoretical study of structural features of endo, exo double bonds and side chain in 14α-demethylation of lanosterol.

Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory.

Catalina Soriano-Correa, Angélica Raya, Juan F. Sánchez-Ruiz, Rodolfo O. Esquivel, Electronic and physicochemical properties of selected nitrofurans: A theoretical studyInternational Journal of Quantum Chemistry (2005)104(4)491–496.