From atoms to biomolecules: a fruitful perspective (Englisch)
- Neue Suche nach: Cauët, E.
- Neue Suche nach: Carette, T.
- Neue Suche nach: Lauzin, C.
- Neue Suche nach: Li, J. G.
- Neue Suche nach: Loreau, J.
- Neue Suche nach: Delsaut, M.
- Neue Suche nach: Nazé, C.
- Neue Suche nach: Verdebout, S.
- Neue Suche nach: Vranckx, S.
- Neue Suche nach: Godefroid, M.
- Neue Suche nach: Liévin, J.
- Neue Suche nach: Vaeck, N.
- Neue Suche nach: Champagne, Benoît
- Neue Suche nach: Deleuze, Michael S.
- Neue Suche nach: De Proft, Frank
- Neue Suche nach: Leyssens, Tom
- Neue Suche nach: Cauët, E.
- Neue Suche nach: Carette, T.
- Neue Suche nach: Lauzin, C.
- Neue Suche nach: Li, J. G.
- Neue Suche nach: Loreau, J.
- Neue Suche nach: Delsaut, M.
- Neue Suche nach: Nazé, C.
- Neue Suche nach: Verdebout, S.
- Neue Suche nach: Vranckx, S.
- Neue Suche nach: Godefroid, M.
- Neue Suche nach: Liévin, J.
- Neue Suche nach: Vaeck, N.
In:
Theoretical Chemistry in Belgium
: A Topical Collection from Theoretical Chemistry Accounts
;
Kapitel: 13
;
149-165
;
2012
- Aufsatz/Kapitel (Buch) / Elektronische Ressource
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Titel:From atoms to biomolecules: a fruitful perspective
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Weitere Titelangaben:Highlights in Theoretical Chemistry
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Beteiligte:Champagne, Benoît ( Herausgeber:in ) / Deleuze, Michael S. ( Herausgeber:in ) / De Proft, Frank ( Herausgeber:in ) / Leyssens, Tom ( Herausgeber:in ) / Cauët, E. ( Autor:in ) / Carette, T. ( Autor:in ) / Lauzin, C. ( Autor:in ) / Li, J. G. ( Autor:in ) / Loreau, J. ( Autor:in ) / Delsaut, M. ( Autor:in )
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Erschienen in:Theoretical Chemistry in Belgium : A Topical Collection from Theoretical Chemistry Accounts ; Kapitel: 13 ; 149-165Highlights in Theoretical Chemistry ; 6 ; 149-165
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Verlag:
- Neue Suche nach: Springer Berlin Heidelberg
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Erscheinungsort:Berlin, Heidelberg
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Erscheinungsdatum:03.08.2012
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Format / Umfang:17 pages
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ISBN:
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ISSN:
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DOI:
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Medientyp:Aufsatz/Kapitel (Buch)
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Format:Elektronische Ressource
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Sprache:Englisch
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Schlagwörter:
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Datenquelle:
Inhaltsverzeichnis E-Book
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 1
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PrefaceChampagne, Benoît / Deleuze, Michael S. / De Proft, Frank / Leyssens, Tom et al. | 2012
- 2
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Is there an exact potential energy surface?Sutcliffe, Brian et al. | 2012
- 3
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Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization methodCedillo, Andrés / Van Neck, Dimitri / Bultinck, Patrick et al. | 2012
- 4
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Host–guest and guest–guest interactions between xylene isomers confined in the MIL-47(V) pore systemGhysels, An / Vandichel, Matthias / Verstraelen, Toon / van der Veen, Monique A. / De Vos, Dirk E. / Waroquier, Michel / Van Speybroeck, Veronique et al. | 2012
- 5
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Laser control in open quantum systems: preliminary analysis toward the Cope rearrangement control in methyl-cyclopentadienylcarboxylate dimerDive, G. / Robiette, R. / Chenel, A. / Ndong, M. / Meier, C. / Desouter-Lecomte, M. et al. | 2012
- 6
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Ruthenocene and cyclopentadienyl pyrrolyl ruthenium as precursors for ruthenium atomic layer deposition: a comparative study of dissociation enthalpiesPhung, Quan Manh / Vancoillie, Steven / Delabie, Annelies / Pourtois, Geoffrey / Pierloot, Kristine et al. | 2012
- 7
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The Boron conundrum: the case of cationic clusters \documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document} $${\rm{B}}^{+}_{n}$$ \end{document} with n = 2–20Tai, Truong Ba / Tam, Nguyen Minh / Nguyen, Minh Tho et al. | 2012
- 8
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Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical formsGeldof, D. / Krishtal, A. / Blockhuys, F. / Van Alsenoy, C. et al. | 2012
- 9
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Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamicsHajgató, Balázs / Morini, Filippo / Deleuze, Michael S. et al. | 2012
- 10
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Radical electrophilicities in solventDe Vleeschouwer, Freija / Geerlings, Paul / Proft, Frank De et al. | 2012
- 11
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S5 graphs as model systems for icosahedral Jahn–Teller problemsCeulemans, A. / Lijnen, E. / Fowler, P. W. / Mallion, R. B. / Pisanski, T. et al. | 2012
- 12
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Mechanism of ketone hydrosilylation using NHC–Cu(I) catalysts: a computational studyVergote, Thomas / Gathy, Thomas / Nahra, Fady / Riant, Olivier / Peeters, Daniel / Leyssens, Tom et al. | 2012
- 13
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From atoms to biomolecules: a fruitful perspectiveCauët, E. / Carette, T. / Lauzin, C. / Li, J. G. / Loreau, J. / Delsaut, M. / Nazé, C. / Verdebout, S. / Vranckx, S. / Godefroid, M. et al. | 2012
- 14
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Stabilization of merocyanine by protonation, charge, and external electric fields and effects on the isomerization of spiropyran: a computational studyGanesan, Renuka / Remacle, F. et al. | 2012
- 15
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Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systemsFripiat, Joseph G. / Harris, Frank E. et al. | 2012
- 16
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Smoothed Gaussian molecular fields: an evaluation of molecular alignment problemsLeherte, Laurence / Vercauteren, Daniel P. et al. | 2012
- 17
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Ab initio quantum chemical and ReaxFF-based study of the intramolecular iminium–enamine conversion in a proline-catalyzed reactionHubin, Pierre O. / Jacquemin, Denis / Leherte, Laurence / André, Jean-Marie / van Duin, Adri C. T. / Vercauteren, Daniel P. et al. | 2012
- 18
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Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfacesVan Regemorter, Tanguy / Guillaume, Maxime / Sini, Gjergji / Sears, John S. / Geskin, Victor / Brédas, Jean-Luc / Beljonne, David / Cornil, Jérôme et al. | 2012
- 19
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Implementation in the Pyvib2 program of the localized mode method and application to a heliceneLiégeois, Vincent / Champagne, Benoît et al. | 2012
- 20
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Time-dependent density functional theory study of charge transfer in collisionsAvendaño-Franco, Guillermo / Piraux, Bernard / Grüning, Myrta / Gonze, Xavier et al. | 2012
- 21
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A simple DFT-based diagnostic for nondynamical correlationFogueri, Uma R. / Kozuch, Sebastian / Karton, Amir / Martin, Jan M. L. et al. | 2012
- 22
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Electronic structure analysis of small gold clusters Aum (m ≤ 16) by density functional theoryZanti, Giuseppe / Peeters, Daniel et al. | 2012
- 23
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Combining molecular dynamics with Monte Carlo simulations: implementations and applicationsNeyts, Erik C. / Bogaerts, Annemie et al. | 2012