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130130t20062006ne ad ob 100 0 eng d |
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|a 9789047418627 (e-book : PDF)
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| 035 |
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|a (OCoLC)827002924
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| 035 |
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|a (FlBoTFG)CRC0KE20581PDF
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|a FlBoTFG
|c FlBoTFG
|d UtOrBLW
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|a WENN
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|a Q183.9
|b .I524 2006
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|a 502.85
|b I612
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2 |
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|a International Conference of Computational Methods in Sciences and Engineering
|d (2006 :
|c Chania, Greece)
|0 nb2005002124
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| 245 |
1 |
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|a Trends and perspectives in modern computational science
|h [electronic resource] :
|b lectures presented in the International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2006) : recognised conference by the European Society of Computational Methods in Sciences and Engineering (ESCMSE) /
|c editors, George Maroulis and Theodore Simos.
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| 246 |
1 |
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|i At head of cover title:
|a ICCMSE 2006
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| 264 |
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1 |
|a Leiden, The Netherlands :
|b VSP,
|c [2006]
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| 264 |
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4 |
|c ©2006
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| 300 |
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|a vii, 591 pages :
|b illustrations.
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| 336 |
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|a text
|b txt
|2 rdacontent
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| 337 |
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|a computer
|b c
|2 rdamedia
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| 338 |
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|a online resource
|b cr
|2 rdacarrier
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| 490 |
1 |
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|a Lecture series on computer and computational sciences ;
|v 6
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| 504 |
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|a Includes bibliographical references.
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| 505 |
0 |
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|a Electric polarization induced by nuclear spins / A.D. Buckingham -- On the nature of the metal-metal multiple bond / Laura Gagliardi and Bj?orn O. Roos -- Density Functional Theory (DFT) and ab-initio Quantum Chemistry (AIQC) : story of a difficult partnership / Werner Kutzelnigg -- Collisional ab initio hyperpolarizabilities in computing hyper-Rayleigh spectra of noble gas heterodiatomics / W. G?az ... [et al.] -- Molecular polarization in liquid environment / R.C. Barreto ... [et al.] -- Coherent two-dimensional optical spectroscopy / Minhaeng Cho -- SMx continuum models for condensed phases / Christopher J. Cramer and Donald G. Truhlar -- Probing actinide electronic structure using fluorescence and multiphoton ionization spectroscopy / Michael C. Heaven -- A new hybrid DFT functional- accurate description of response properties and van der Waals interactions / Takao Tsuneda and Kimihiko Hirao -- Site-specific polarizabilities : probing the atomic response of silicon clusters to an external electric field / K. Jackson, M. Yang and J. Jellinek -- Towards black-box linear scaling optimization in Hartree-Fock and Kohn-Sham theories / Stinne H?st ... [et al.] -- Problems in the density functional method with the total spin and space degeneracy / G. Kaplan -- Polarizability anisotropy dynamics in one- and two-component aromatic liquids / B.M. Ladanyi and M.D. Elola -- Guanine : structures, properties and interactions- from the isolated ground state to excited states in polar solvent / M.K. Shukla and Jerzy Leszczynski -- Computational quantum chemistry design of nanospirals and nanoneedles / P.G. Mezey -- Theoretical study on the second hyperpolarizabilities of diphenalenyl radical systems / Masayoshi Nakanol ... [et al.] -- QED and the valence shell / P. Pyykk?o -- Lesions in DNA subunits : the nucleic acid bases / Partha P. Bera and Henry F. Schaefer III -- Optimized virtual orbital space (OVOS) as a tool for more efficient correlated and relativistic calculations of molecular properties and interactions / M. Urban, Michal Pito?n?ak, Pavel Neogr?ady -- General spin orbital density functional study of transition metal clusters and complexes / S. Yamanaka ... [et al.] -- A systematic study of the linear and non-linear optical properties of small molecules and clusters : the correlation, vibrational and relativistic contributions / M.G. Papadopoulos ... [et al.] --
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| 505 |
8 |
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|a Transition metal clusters polarizabilities / Patrizia Calaminici -- Ab Initio methods for simulating and interpreting hyper-Raman spectra of molecules / Beno?it Champagne -- Towards a first observation of molecular parity violation by laser spectroscopy / C. Chardonnet ... [et al.] -- Global optimization of 1- and 2-dimensional nanoscale structures / Cristian V. Ciobanu -- Periodic orbits in biological molecules : phase space structures and selectivity / S.C. Farantos -- The beauty of spinors / I.P. Grant -- Problems in the experimental determination of higher-order dipole-polarizabilities / Uwe Hohm -- Lagrange-like error formula in exponential fitting / L. Gr. Ixaru -- Computational approaches to supramolecular functions / S.J. Lee and J.Y. Lee -- Electric properties for HCCH, H2CC, H2CSi and H2CGe / G. Maroulis, D. Xenides and P. Karamanis -- On Zagreb matrices and derived descriptors / Du?sanka Jane?zi?c, Ante Mili?cevi?c and Sonja Nikoli?c -- Anharmonic calculation of vibrational spectra for P406 and P4010 systems / P. Carbonni?ere and C. Pouchan -- How accurately can structural, spectroscopic and thermochemical properties be predicted by ab initio computations? / Cristina Puzzarini -- Recent advances in the computation of linear and nonlinear optical susceptibilities of polymers, liquids, solutions and crystals using discrete local field theory / H. Reis and M.G. Papadopoulos -- Ab initio quantum mechanical charge field (QMCF) simulations : new horizons in solution chemistry / Bernd M. Rode ... [et al.] -- Relativistic quantum chemistry : a historical overview / Peter Schwerdtfeger and Christian Thierfelder -- Nonlinear optical spectroscopy of molecular chirality / Y.R. Shen -- Electronic response analysis on supramolecular functions : electronic-structure modulation and molecular recognition / Manabu Sugimoto -- Spectra of water dimer from ab initio calculations / Krzysztof Szalewicz ... [et al.] -- The life and work of Vedene H. Smith, Jr. / Ajit J. Thakkar -- Dynamics of protons in hydrogen bonds studied by theoretical methods and vibrational spectroscopy / Marek J. W?ojcik -- Multicriteria choice of enzyme immobilization process for biosensor design and construction / F.A. Balzias -- Modelling dunes with vegetation and dunes on Mars / H.J. Herrmann, O. Dur?an, E.J.R. Parteli -- High performance computation and numerical validation of e-collision software / N.S. Scott ... [et al.] -- An alternative proof of the Onsager reciprocal relations for multi-component diffusion / George D. Verros and Athena K. Testempasi -- Cellular automata (CA) as a basic method for studying network dynamics / D. Bonchev, L.B. Kier and C.-K. Cheng.
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| 530 |
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|a Also available in print edition.
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| 538 |
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|a Mode of access: World Wide Web.
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| 650 |
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0 |
|a Science
|x Data processing
|v Congresses.
|0 sh2008111302
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| 650 |
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0 |
|a Engineering
|x Data processing
|v Congresses.
|0 sh2008103070
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| 650 |
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0 |
|a Computer science
|v Congresses.
|0 sh2008101220
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| 655 |
|
7 |
|a Electronic books.
|2 lcgft
|
| 700 |
1 |
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|a Maroulis, George.
|0 no2005034016
|
| 700 |
1 |
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|a Simos, T. E.
|0 no2003095534
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| 710 |
2 |
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|a European Society of Computational Methods in Science and Engineering.
|0 no2004043103
|
| 710 |
2 |
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|a CRC Press.
|0 n 80007653
|
| 776 |
1 |
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|z 9789004155411 (pbk.)
|z 9004155414
|
| 830 |
|
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|a Lecture series on computer and computational sciences ;
|v 6.
|0 no2005034025
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|a 2206243
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| 975 |
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|a US ebook
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|a Wentworth Institute of Technology
|b Main Campus
|c Wentworth Library
|d Ebooks
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|e CRC
|h Other scheme
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|u https://ezproxywit.flo.org/login?qurl=https://www.taylorfrancis.com/books/9789047418627
|y Full text (WIT users only)
|
Wentworth
Institute of Technology