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EBSCO_ocn855955073 |
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OCoLC |
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m o d |
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130322s2013 nyu ob 001 0 eng |
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|a 9781624179556
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|z (OCoLC)957636821
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|a pcc
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|a QD462.6.D45
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|a 541/.28
|2 23
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| 049 |
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|a UAMI
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| 245 |
0 |
0 |
|a Density functional theory :
|b principles, applications and analysis /
|c Joseph Morin and Jean Marie Pelletier, editors.
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| 264 |
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1 |
|a New York :
|b Nova Science Publishers, Inc.,
|c [2013]
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| 300 |
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|a 1 online resource.
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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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|a online resource
|b cr
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0 |
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|a Physics research and technology
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| 504 |
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|a Includes bibliographical references and index.
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| 505 |
0 |
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|a Density functional treatment of interactions and chemical reactions at interfaces / José R.B. Gomes, José L.C. Fajín, M. Natália D.S. Cordeiro, Cátia Teixeira, Paula Gomes, Renjith S. Pillai,Gerard Novell-Leruth, Jordi Toda and Miguel Jorge -- Applications of density functional theory calculations to lithium carbenoids and magnesium carbenoids / Tsutomu Kimura -- On the prediction of thermoelectric properties of low-dimensional materials by density functional theory / P. Boulet and M.C. Record -- On the use of DFT computations to the radical scavenging activity studies of natural phenolic compounds / Nikolaos Nenadis and Maria Z. Tsimidou -- Polarizability of C60/C70fullerene [2+1]-and [1+1]-adducts : a DFT-prognosis / Denis Sh. Sabirov -- The application of density functional theory to calculation of properties of environmentally important speciesdi-and trimethylnaphthalenes / Bojana D. Ostojić and Dragana S. Đorđević -- Transport of organic materials from molecules to organic semiconductors / Kenji Hirose -- Modern density functional theory a useful tool for computational chemists / Reinaldo Pis Diez -- Alloy-based design of materials from first principles : an application to functional hard coatings / David Holec, Liangcai Zhou, Richard Rachbauerand Paul H. Mayrhofer -- Energy density functional theory in nuclear physics / Yoritaka Iwata and Joachim A. Maruhn.
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| 588 |
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|a Description based on print version record.
|
| 590 |
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|a eBooks on EBSCOhost
|b EBSCO eBook Subscription Academic Collection - Worldwide
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| 650 |
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0 |
|a Density functionals.
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| 650 |
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6 |
|a Fonctionnelles densité.
|
| 650 |
|
7 |
|a SCIENCE
|x Chemistry
|x Physical & Theoretical.
|2 bisacsh
|
| 650 |
|
7 |
|a Density functionals
|2 fast
|
| 700 |
1 |
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|a Morin, Joseph,
|d 1969-
|e editor.
|
| 700 |
1 |
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|a Pelletier, Jean Marie,
|d 1972-
|e editor.
|
| 776 |
0 |
8 |
|i Print version:
|t Density functional theory
|d New York : Nova Science Publishers, Inc., [2013]
|z 9781624179549 (hardcover)
|w (DLC) 2012051682
|
| 856 |
4 |
0 |
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|z Texto completo
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