default search action
Journal of Computational Methods in Science and Engineering, Volume 4
Volume 4, Numbers 1-2, 2004
- Theodore E. Simos:
Editorial. 1 - Jesús Vigo-Aguiar
:
Preface. 3 - Mario Trottini
Additive noise and multiplicative bias as disclosure limitation techniques for continuous microdata: A simulation study. 5-16 - Giuseppe Fontana, Ezio Venturino:
Post Keynesian Models of the Credit Market and the Reserve Market. 17-23 - Pascal Mossay, Ricardo Martínez
Numerical simulations of a self-organizing economy. 25-32 - José Miguel Mantas Ruiz
Parallel integration of hydrodynamical approximations of the Boltzmann equation for rarefied gases on a cluster of computers. 33-41 - Mattia de'Michieli Vitturi, François Beux, Giovanni Lombardi
Optimum shape design for turbulent viscous flows around complete configurations of 2D flying sails. 43-55 - J. A. López, Francisco J. Marco Castillo
An optimal control method for computation of the dynamical correction of the systematic errors in celestial reference frames. 57-64 - Stella M. Salvatierra:
Using unlabeled data to improve classification in the naive bayes approach: Application to web searches. 65-74 - María Guadalupe Cabezas-Martín
On the use of liquid bridges as tensiometers. 75-85 - Ronald H. W. Hoppe, Svetozara I. Petrova:
Homogenization design method for biomorphic composite materials. 87-96 - Javier Villarroel
On representations of solutions to certain stochastic differential equations. 97-103 - Edit Miletics, Gyozo Molnárka:
Taylor series method with numerical derivatives for initial value problems. 105-114 - José C. Valverde, Fernando L. Pelayo
Symbolic mathematical computing of bifurcations in dynamical systems. 115-123 - José C. Valverde, Fernando L. Pelayo
Stability of continuous systems by Routh-Hurwitz and mathematica. 125-134 - B. Larsson, Tatiana V. Levitina, Erkki J. Brändas:
Eigenfunctions of the 2D finite Fourier transform. 135-148 - Roberto Therón, Vidal Moreno
Assessing methods for the evaluation of the configuration space for planar revolute manipulators. 149-156 - Karen Belkic, Dzevad Belkic:
Spectroscopic imaging through magnetic resonance for brain tumour diagnostics: Recent achievements, dilemmas and potential solutions via advances in signal processing. 157-207 - Victor Didenko
Numerical methods on graded meshes for singular integral equations with conjugation. 209-233
Volume 4, Number 3, 2004
- George Maroulis:
Computational aspects of electric polarizability calculations: Atoms, molecules and clusters. 235 - Mikhail A. Buldakov, Victor N. Cherepanov
Polarizability functions of diatomic homonuclear molecules: Semiempirical approach. 237-250 - Miroslav Medved, Benoît Champagne, Jozef Noga, Eric A. Perpète:
Dipole polarizability and second hyperpolarizability of difluoroacetylene: Basis set dependence and electron correlation effects. 251-265 - A. E. de A. Machado
PLS prediction of hyperpolarizabilities for donor-bridge-acceptor organic systems. 267-275 - Waldemar Glaz:
Collisional polarizability correlation functions: A step towards rotational-translational coupling. 277-292 - C. Diedrich, S. Causemann, Stefan Grimme:
Density functional calculations of the frequency-dependent optical rotation: Comparison of theory and experiment for the gas phase. 293-300 - Di Wu, Zhi-Ru Li, Yi-Hong Ding, Man Zhang, Zhi-Ren Zheng, Bing-Qiang Wang, Xi-Yun Hao:
Ab initio determination of the interaction hyperpolarizability for the H-bond complex NH_3-HF. 301-306 - Ashok Kumar
Reliable results for the Isotropic Dipole - Dipole and Triple - Dipole Dispersion Energy Coefficients for Interactions involving Formaldehyde, Acetaldehyde, Acetone, and Mono - , Di - , and Tri - Methylamine. 307-320 - Patrick Norman, Auayporn Jiemchooroj, Bo E. Sernelius:
First principle calculations of dipole-dipole dispersion coefficients for the ground and first p ? p* excited states of some azabenzenes. 321-332 - Amar Saal, Ourida Ouamerali:
Electronic and vibrational polarizability and first hyperpolarizability of charge transfer chromophores: Quantum chemistry investigation. 333-344 - Tadeusz Pluta, Piotr Zerzucha:
Electric dipole polarizability and hyperpolarizability of NCCN, NCCP, and PCCP. 345-355 - Isabelle Baraille, Clovis Darrigan, Michel Rérat:
Ab initio calculation of the nonlinear susceptibility ?^{(2)} of a crystal surface. 357-364 - Chiara Cappelli, Ulf Ekström, Antonio Rizzo
The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl_2. 365-380 - Kenneth Ruud, Benedetta Mennucci, Roberto Cammi, Luca Frediani:
The calculation of excited-state polarizabilities of solvated molecules. 381-397 - Humberto Soscún, Carlos Toro-Mendoza, Esker Chacín, Javier Hernández:
Static Dipole Polarizability of o-, m- and p-Benzyne isomers: Ab initio, DFT and CCSD calculations. 399-409 - Kyrill Yu Suponitsky, Tatiana V. Timofeeva:
First hyperpolarizability of 6-vertex carboranes 2. DFT study of NH_2/NO_2 -substituted 1, 2-closo-dicarbahexaboranes. 411-418 - Marcel Swart, Jaap G. Snijders, Piet Th. van Duijnen:
Polarizabilities of amino acid residues. 419-425 - Robert J. Doerksen, Valerie J. Steeves, Ajit J. Thakkar:
Are polarizabilities useful as aromaticity indices? Tests on azines, azoles, oxazoles and thiazoles. 427-438 - Francisco Torrens:
Molecular polarizability of Si/Ge/GaAs semiconductors clusters. 439-450 - Kechen Wu, Ping Liu, Zhangfeng Zhou, Chensheng Lin, Botao Zhuang:
First-principle study on polarizability and hyperpolarizability of a transition metal cluster, [Mo2S3(C6H11)3(CO)6]·N(. 451-459 - Jun-ichi Iwata, Kazuhiro Yabana, George F. Bertsch:
Real-space computational methods for linear and nonlinear polarizabilities. 461-479 - Mikhail B. Zuev, Sergey E. Nefediev:
Rational Design of atomic gaussian basis sets for Ab initio calculations of the dipole polarizabilities and hyperpolarizabilities. I. Optimized polarization sets for the first-row atoms from B to F. 481-491 - Mikhail B. Zuev, Marina Yu. Balakina
Rational Design of atomic Gaussian basis sets for Ab initio Calculations of the dipole polarizabilities and hyperpolarizabilities II. Moderate Size Basis Sets for the First-Row Atoms from B to F. 493-500 - Gaétan Weck, Anne Milet, Robert Moszynski, Elise Kochanski:
Analysis of accuracy in ab initio calculations of the static dipole polarizability components. Examples of the water molecule and hydroxide ion. 501-516
Volume 4, Number 4, 2004
- M. Begona Torres, Luis C. Balbás:
Dynamical and static dipole polarizability of metal clusters studied within different density functional approximations. 517-549 - Wojciech Bartkowiak, Bartlomiej Skwara, Robert Zalesny:
The influence of solvent on the two-photon absorption cross section and hyperpolarizability of molecules exhibiting large solvatochromic shifts. 551-558 - Eudes Eterno Fileti
A sequential Monte Carlo/Quantum Mechanics study of the dipole polarizability of liquid benzene. 559-568 - Christine Lepetit, Pascal G. Lacroix
Hyperpolarizability of novel carbo-meric push-pull chromophores. 569-588 - Patricio Fuentealba, Luis Padilla-Campos, Orfa Reyes:
On the theoretical calculation of the static dipole polarizabilities of Lin, Cun (n = 8) and LinCum (n, m = 4). 589-596 - Kathleen M. Gough, Concetta Lupinetti, Richard Dawes
Computation and interpretation of Raman scattering intensities. 597-609 - Jacek Kobus, David Moncrieff, Stephen Wilson:
Electric properties of diatomic molecules: A comparison of finite basis set and finite difference Hartree-Fock calculations. 611-640 - Anna V. Gubskaya, Peter G. Kusalik:
A mean-field approach for the determination of the polarizabilities for the water molecule in liquid state. 641-664 - Rafael Soriano Jartín, Inmaculada García Cuesta, Alfredo M. J. Sánchez De Merás, Paolo Lazzeretti:
Can aromaticity be connected with molecular polarizability? A theoretical study of benzene isomers and five-membered heterocyclic molecules. 665-676 - Masayoshi Nakano, Satoru Yamada, Kizashi Yamaguchi
Third-order nonlinear optical responses of molecules in the intermediate and strong correlation regime: Variation of second hyperpolarizability in the bond dissociation. 677-701 - Francesca Terenziani, Anna Painelli, Zoltan G. Soos:
Static polarizability of molecular materials: Environmental and vibrational contributions. 703-720 - Sourav Pal, Nayana Vaval:
Electric properties of molecules using stationary coupled-cluster method. 721-736 - Lionello Pogliani:
Modeling molecular polarizabilities with graph-theoretical concepts. 737-751 - Vladimír Kellö, Andrej Antusek, Miroslav Urban:
Quasi-relativistic coupled cluster calculations of electric dipole moments and dipole polarizabilities of GeO, SnO, and PbO. 753-764
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
last updated on 2024-10-31 20:04 CET by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by: