Works matching IS 00207608 AND DT 2011 AND VI 111 AND IP 4

Results: 20

Theoretical study of solvent effect on the structure, first electronic excited state, and nonlinear optical properties of substituted stilbazolium cations.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 780, doi. 10.1002/qua.22882

By:

Inerbaev, Talgat M.;
Gu, Feng Long;
Mizuseki, Hiroshi;
Kawazoe, Yoshiyuki

Publication type:

Article

David Bishop's approach to vibrational dynamic contributions to molecular properties: Application to Jones and magnetoelectric birefringences in diatomic molecules.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 760, doi. 10.1002/qua.22813

By:

Rizzo, Antonio;
Cappelli, Chiara

Publication type:

Article

G

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 858, doi. 10.1002/qua.22886

By:

Gao, Bin;
Thorvaldsen, Andreas J.;
Ruud, Kenneth

Publication type:

Article

The iterative self-consistent reaction-field method: The refractive index of pure water.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 904, doi. 10.1002/qua.22897

By:

Sylvester‐Hvid, Kristian O.;
Mikkelsen, Kurt V.;
Ratner, Mark A.

Publication type:

Article

Vibrational corrections to geometry and nuclear shielding constants of cytosine.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 873, doi. 10.1002/qua.22868

By:

Cybulski, Sławomir M.

Publication type:

Article

Calculated rotational and vibrational g factors of LiH X.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 736, doi. 10.1002/qua.22666

By:

Sauer, S. P. A.;
Paidarová, I.;
Oddershede, J.;
Bak, K. L.;
Ogilvie, J. F.

Publication type:

Article

Static electric dipole polarizabilities for isoelectronic sequences.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 891, doi. 10.1002/qua.22911

By:

Koch, Volker;
Andrae, Dirk

Publication type:

Article

Geometry distortion of the benzene molecule in a strong magnetic field.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 772, doi. 10.1002/qua.22812

By:

Caputo, M. C.;
Lazzeretti, P.

Publication type:

Article

Calculating the second-order nonlinear optical susceptibilities of 3-methyl-4-nitropyridine N-oxide, 2-carboxylic acid-4-nitropyridine-1-oxide, 2-methyl-4-nitroaniline, and m-nitroaniline crystals.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 880, doi. 10.1002/qua.22852

By:

Kanoun, Mohammed Benali;
Champagne, Benoît

Publication type:

Article

David M. Bishop.

Published in:: International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 726, doi. 10.1002/qua.22827
Publication type:: Article

On the contribution of mixed terms in response function treatment of vibrational nonlinear optical properties.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 839, doi. 10.1002/qua.22880

By:

Kirtman, Bernard;
Luis, Josep M.

Publication type:

Article

Cavity field effects within a polarizable continuum model of solvation: Application to the calculation of electronic circular dichroism spectra of R-(+)-3-methyl-cyclopentanone.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 826, doi. 10.1002/qua.22804

By:

Pipolo, Silvio;
Cammi, Roberto;
Rizzo, Antonio;
Cappelli, Chiara;
Mennucci, Benedetta;
Tomasi, Jacopo

Publication type:

Article

David M. Bishop Curriculum Vitae.

Published in:: International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 725, doi. 10.1002/qua.22826
Publication type:: Article

Electron-pair extracule densities for low-lying excited states of He and Li.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 753, doi. 10.1002/qua.22727

By:

McCarthy, Shane P.;
Thakkar, Ajit J.

Publication type:

Article

On the shape dependence of cluster (hyper)polarizabilities. A combined ab initio and DFT study on large fullerene-like gallium arsenide semiconductor clusters.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 788, doi. 10.1002/qua.22854

By:

Karamanis, Panaghiotis;
Pouchan, Claude

Publication type:

Article

David M. Bishop: Esteemed colleague and dear friend.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 723, doi. 10.1002/qua.22825

By:

Sauer, Stephan P. A.

Publication type:

Article

Dressed TDDFT study of low-lying electronic excited states in selected linear polyenes and diphenylopolyenes.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 819, doi. 10.1002/qua.22876

By:

Mazur, Grzegorz;
Makowski, Marcin;
Włodarczyk, Radosław;
Aoki, Yuriko

Publication type:

Article

Polarizabilities of carbon nanotubes: Importance of the crystalline orbitals relaxation in presence of an electric field.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 797, doi. 10.1002/qua.22858

By:

Ehinon, Daniel;
Baraille, Isabelle;
Rérat, Michel

Publication type:

Article

Aromatic pathways in conjugated rings connected by single bonds.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 848, doi. 10.1002/qua.22869

By:

Taubert, Stefan;
Kaila, Ville R. I.;
Sundholm, Dage

Publication type:

Article

Bond length dependence of the polarizability and hyperpolarizability of boron hydride.

Published in:

International Journal of Quantum Chemistry, 2011, v. 111, n. 4, p. 807, doi. 10.1002/qua.22788

By:

Maroulis, George

Publication type:

Article