Works matching IS 00207608 AND DT 2009 AND VI 109 AND IP 14

Results: 32

A stochastic model for microtubule dynamicity involving mixtures of tubulin isotypes.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3430, doi. 10.1002/qua.21986

By:

Rezania, Vahid;
Tuszynski, Jack A.

Publication type:

Article

The role of gold adatoms in self-assembled monolayers of thiol on Au(111).

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3466, doi. 10.1002/qua.22055

By:

Torres, Edmanuel;
Biedermann, P.Ulrich;
Blumenau, Alexander T.

Publication type:

Article

Calibration of new model core potentials for main group elements.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3235, doi. 10.1002/qua.22120

By:

Zeng, Tao;
Mori, Hirotoshi;
Miyoshi, Eisaku;
Klobukowski, Mariusz

Publication type:

Article

On the origin of the trans-influence in square planar d<sup>8</sup>-complexes: A theoretical study.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3379, doi. 10.1002/qua.21910

By:

Mitoraj, Mariusz P.;
Zhu, Hongjuan;
Michalak, Artur;
Ziegler, Tom

Publication type:

Article

Ab-initio studies of magnetic properties of small-sized and cuboctahedral aluminum nanoclusters.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3457, doi. 10.1002/qua.21913

By:

Phung, T. V. B.;
Hashimoto, T.;
Nishikawa, K.;
Nagao, H.

Publication type:

Article

BS DFT and BS HDFT studies of Cr&bond;Cr sextuple bond from the viewpoint of electron correlation effects.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3315, doi. 10.1002/qua.21953

By:

Kitagawa, Yasutaka;
Nakanishi, Yasuyuki;
Saito, Toru;
Kawakami, Takashi;
Okumura, Mitsutaka;
Yamaguchi, Kizashi

Publication type:

Article

On the use of the exact exchange optimized effective potential method for static response properties.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3246, doi. 10.1002/qua.21937

By:

Krykunov, Mykhaylo;
Ziegler, Tom

Publication type:

Article

The correlation contracted Schrödinger equation: An accurate solution of the G-particle-hole hypervirial.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3178, doi. 10.1002/qua.21943

By:

Alcoba, D. R.;
Valdemoro, C.;
Tel, L. M.;
Pérez‐Romero, E.

Publication type:

Article

NMR shifts for polycyclic aromatic hydrocarbons from first-principles.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3336, doi. 10.1002/qua.21941

By:

Thonhauser, T.;
Ceresoli, Davide;
Marzari, Nicola

Publication type:

Article

Improving reptation quantum Monte Carlo.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3229, doi. 10.1002/qua.22134

By:

Yuen, Wai Kong;
Oblinsky, Daniel G.;
Giacometti, Robert D.;
Rothstein, Stuart M.

Publication type:

Article

Orbital-dependent magnetic properties of molecular cluster containing high-spin Co(II) ions.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3368, doi. 10.1002/qua.22137

By:

Wang, Fan;
Zhao, Fei;
Wang, Bing‐Wu;
Wang, Ming‐Wei;
Zhang, Yuan‐Zhu;
Wang, Wei;
Gao, Song;
Chen, Zhi‐Da

Publication type:

Article

Zero-phonon line profiles in Markovian and non-Markovian schemes in high-temperature systems: Applications to glassy water and ethanol.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3399, doi. 10.1002/qua.22147

By:

Toutounji, Mohamad M.

Publication type:

Article

Cusps and derivatives for wave-functions expanded in Slater orbitals: A density study.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3191, doi. 10.1002/qua.22156

By:

Reinhardt, Peter;
Hoggan, Philip E.

Publication type:

Article

Laser control of photodissociation process in diatomic molecule.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3416, doi. 10.1002/qua.22162

By:

Tawada, A.;
Sugimori, K.;
Sano, M.;
Taniguchi, S.;
Nagao, H.;
Nishikawa, K.

Publication type:

Article

Generation of an isolated sub-100 attosecond pulse in a two-color laser field.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3410, doi. 10.1002/qua.22168

By:

Guo, Ya‐Hui;
Lu, Rui‐Feng;
Han, Ke‐Li;
He, Guo‐Zhong

Publication type:

Article

Energetics of 1,n-didehydro-polyene diradicals and performance of reduced multireference coupled-cluster method.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3305, doi. 10.1002/qua.22186

By:

Li, Xiangzhu;
Paldus, Josef

Publication type:

Article

NMR computations for carbon nanotubes from first principles: Present status and future directions.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3343, doi. 10.1002/qua.22211

By:

Zurek, Eva;
Autschbach, Jochen

Publication type:

Article

Ab initio studies of vacancy-defected fullerenes and single-walled carbon nanotubes.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3441, doi. 10.1002/qua.22298

By:

Liu, Lei Vincent;
Tian, Wei Quan;
Wang, Yan Alexander

Publication type:

Article

New intermolecular benchmark calculations on the water dimer: SAPT and supermolecular post-Hartree–Fock approaches.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3259, doi. 10.1002/qua.22299

By:

Reinhardt, P.;
Piquemal, J.‐P.

Publication type:

Article

Isospectral potentials for the Schrödinger equation with a position-dependent mass: Free-particle potential model.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3171, doi. 10.1002/qua.22218

By:

Morales, J.;
Ovando, G.;
Peña, J. J.;
de Parga, G. Ares

Publication type:

Article

Interplaying roles of native topology and chain length in marginally cooperative and noncooperative folding of small protein fragments.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3482, doi. 10.1002/qua.22272

By:

Badasyan, Artem;
Liu, Zhirong;
Chan, Hue Sun

Publication type:

Article

Unusual low-intensity regime in laser-induced molecular photodissociation.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3423, doi. 10.1002/qua.22248

By:

Lefebvre, R.;
Atabek, O.

Publication type:

Article

Relativistic perturbation theory calculation of the hyperfine structure parameters for some heavy-element isotopes.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3330, doi. 10.1002/qua.22269

By:

Khetselius, O. Yu

Publication type:

Article

Core repulsion effects in alkali trimers.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3387, doi. 10.1002/qua.22304

By:

Guérout, R.;
Soldán, P.;
Aymar, M.;
Deiglmayr, J.;
Dulieu, O.

Publication type:

Article

Are the unconventional density variations really unconventional?

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3199, doi. 10.1002/qua.22330

By:

Zhang, Yu Adam;
Wang, Yan Alexander

Publication type:

Article

Electrodynamical and quantum-chemical approaches to modeling the electrochemical and catalytic processes on metals, metal alloys, and semiconductors.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3473, doi. 10.1002/qua.22338

By:

Glushkov, A. V.;
Kondratenko, P. A.;
Lepikh, Ya. I.;
Fedchuk, A. P.;
Lovett, L.;
Svinarenko, A. A.

Publication type:

Article

Structural alignment using the generalized Euclidean distance between conformations.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3217, doi. 10.1002/qua.22347

By:

Mohazab, Ali R.;
Plotkin, Steven S.

Publication type:

Article

Optimized perturbation theory scheme for calculating the interatomic potentials and hyperfine lines shift for heavy atoms in the buffer inert gas.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3325, doi. 10.1002/qua.22352

By:

Malinovskaya, S. V.;
Glushkov, A. V.;
Khetselius, O. Yu.;
Svinarenko, A. A.;
Mischenko, E. V.;
Florko, T. A.

Publication type:

Article

Microscopic self-organization and self-referential systems: A progress report.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3500, doi. 10.1002/qua.22377

By:

Brändas, Erkki J.

Publication type:

Article

List of participants.

Published in:: International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3145, doi. 10.1002/qua.22379
Publication type:: Article

Preface.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3143, doi. 10.1002/qua.22380

By:

Wang, Yan Alexander;
Brändas, Erkki J.;
Maruani, Jean

Publication type:

Article

Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches.

Published in:

International Journal of Quantum Chemistry, 2009, v. 109, n. 14, p. 3268, doi. 10.1002/qua.22367

By:

Piecuch, Piotr;
Gour, Jeffrey R.;
Włoch, Marta

Publication type:

Article