Accurate ab initio determination of spectroscopic and thermochemical properties of mono- and dichlorocarbenes (English)
National licence
- New search for: Tarczay, György
- New search for: Miller, Terry A.
- New search for: Czakó, Gábor
- New search for: Császár, Attila G.
- New search for: Tarczay, György
- New search for: Miller, Terry A.
- New search for: Czakó, Gábor
- New search for: Császár, Attila G.
In:
Physical Chemistry Chemical Physics
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7
, 15
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2881-2893
;
2005
- Article (Journal) / Electronic Resource
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Title:Accurate ab initio determination of spectroscopic and thermochemical properties of mono- and dichlorocarbenes
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Contributors:Tarczay, György ( author ) / Miller, Terry A. ( author ) / Czakó, Gábor ( author ) / Császár, Attila G. ( author )
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Published in:Physical Chemistry Chemical Physics ; 7, 15 ; 2881-2893
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Publisher:
- New search for: The Royal Society of Chemistry
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Publication date:2005-07-18
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Size:13 pages
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ISSN:
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Coden:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Source:
Table of contents – Volume 7, Issue 15
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 2841
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Front cover| 2005
- 2843
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Contents| 2005
- 2849
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Crossing the boundaries with Soft Matter| 2005
- 2850
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Growth of crystalline rubrene films with enhanced stabilityKäfer, D. / Witte, G. et al. | 2005
- 2854
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Half or full core hole in density functional theory X-ray absorption spectrum calculations of water?Cavalleri, Matteo / Odelius, Michael / Nordlund, Denni / Nilsson, Ander / Pettersson, Lars G. M. et al. | 2005
- 2859
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The scanned nanopipette: a new tool for high resolution bioimaging and controlled deposition of biomoleculesYing, Liming / Bruckbauer, Andrea / Zhou, Dejian / Gorelik, Julia / Shevchuk, Andrew / Lab, Max / Korchev, Yuri / Klenerman, David et al. | 2005
- 2867
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Repulsive double many-body expansion potential energy surface for the reactions N(4S) + H2 ⇌ NH(X3Σ−) + H from accurate ab initio calculationsPoveda, L. A. / Varandas, A. J. C. et al. | 2005
- 2867
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Repulsive double many-body expansion potential energy surface for the reactions N(^4S) + H~2 &rlhar2; NH(X^3Sigma^-) + H from accurate ab initio calculationsPoveda, L. A. / Varandas, A. J. C. et al. | 2005
- 2867
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Repulsive double many-body expansion potential energy surface for the reactions N(4S) + H2 rlhar NH(X3S-) + H from accurate ab initio calculationsPoveda, L.A. et al. | 2005
- 2874
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Distorted five-fold coordination of Cu2+(aq) from a Car–Parrinello molecular dynamics simulationAmira, Sami / Spångberg, Daniel / Hermansson, Kersti et al. | 2005
- 2881
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Accurate ab initio determination of spectroscopic and thermochemical properties of mono- and dichlorocarbenesTarczay, György / Miller, Terry A. / Czakó, Gábor / Császár, Attila G. et al. | 2005
- 2894
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Structure and dynamics of the triplet state of oligothiophenes in isotropic and partially oriented matricesBarbon, Antonio / Bortolus, Marco / Lisa Maniero, Anna / Brustolon, Marina et al. | 2005
- 2900
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Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with oxygenBecerra, Rosa / Bowes, Sarah-Jane / Steven Ogden, J. / Pat Cannady, J. / Adamovic, Ivana / Gordon, Mark. S / Almond, Matthew J. / Walsh, Robin et al. | 2005
- 2909
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High-spin to low-spin relaxation kinetics in the [Fe(TRIM)2]Cl2 complexBonhommeau, Sébastien / Bréfuel, Nicola / Pálfi, Villö K. / Molnár, Gábor / Zwick, Antoine / Salmon, Lionel / Tuchagues, Jean-Pierre / Sanchez Costa, José / Létard, Jean-Françoi / Paulsen, Hauke et al. | 2005
- 2915
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On one dimensional chemical diode and frequency generator constructed with an excitable surface reactionGorecka, J. / Gorecki, J. et al. | 2005
- 2921
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Kinetic measurements on methylidyne radical reactions with several hydrocarbons at low temperaturesDaugey, Nicola / Caubet, Philippe / Retail, Bertrand / Costes, Michel / Bergeat, Astrid / Dorthe, Gérard et al. | 2005
- 2928
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Surface tension of a Lennard-Jones liquid under supersaturationHe, Songnian / Attard, Phil et al. | 2005
- 2936
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Oxidising CO to CO2 using ceria nanoparticlesSayle, Thi X. T. / Parker, Stephen C. / Sayle, Dean C. et al. | 2005
- 2942
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Angle resolved ion scattering spectroscopy at surfaces of pure liquids: topography and orientation of moleculesAndersson, Gunther et al. | 2005
- 2948
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Angle resolved ion scattering spectroscopy reveals the local topography around atoms in a liquid surfaceAndersson, Gunther / Krebs, Thoma / Morgner, Harald et al. | 2005
- 2955
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Scanning electrochemical microscopy as a probe of Ag+ binding kinetics at Langmuir phospholipid monolayersBurt, David P. / Cervera, Javier / Mandler, Daniel / Macpherson, Julie V. / Manzanares, José A. / Unwin, Patrick R. et al. | 2005
- 2965
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Density functional study of infinite polyserine chainsBogár, F. / Szekeres, Zs. / Bartha, F. / Penke, B. / Ladik, J. et al. | 2005
- 2970
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Thermotropic phase behaviour of long-chain alkylmaltosidesEricsson, Caroline A. / Ericsson, Louise C. / Kocherbitov, Vitaly / Söderman, Olle / Ulvenlund, Stefan et al. | 2005
- 2978
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Back matter| 2005
- 2979
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Back cover| 2005