CASPT2 study of the electronic states of chlorodifluoromethane and chlorofluoromethane ions (Unknown)
- New search for: Liu, T.
- New search for: Huang, M.-B.
- New search for: Liu, T.
- New search for: Huang, M.-B.
In:
Molecular Physics
;
105
, 17-18
;
2279-2288
;
2007
- Article (Journal) / Electronic Resource
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Title:CASPT2 study of the electronic states of chlorodifluoromethane and chlorofluoromethane ions
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Contributors:Liu, T. ( author ) / Huang, M.-B. ( author )
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Published in:Molecular Physics ; 105, 17-18 ; 2279-2288
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Publisher:
- New search for: Taylor & Francis Group
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Publication date:2007-09-10
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Size:10 pages
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ISSN:
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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:Unknown
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Keywords:
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Source:
Table of contents – Volume 105, Issue 17-18
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.
- 2203
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Ab initio molecular dynamics study of aqueous formaldehyde and methanediolMugnai, M. / Cardini, G. / Schettino, V. / Nielsen, C.J. et al. | 2007
- 2211
-
Molecular dynamics simulation of ice nanocluster in supercooled waterBrodskaya, E. N. et al. | 2007
- 2217
-
The acetylene ground state sagaHerman, M. et al. | 2007
- 2243
-
A theoretical study of the biselective double pulsed field gradient spin-echo NMR experimentNuzillard, Jean-Marc et al. | 2007
- 2251
-
TDDFT study on electronic excitations and first hyperpolarizabilities of mixed-metal carbonyl clusters MonIr4-n(μ-CO)3(β5-Cp)n (n = 1,2,3)Li, Fujun / Liu, Caiping / Liu, Chunwan / Wu, Kechen et al. | 2007
- 2259
-
Comparison between standard and counterpoise-corrected optimization using some hydrogen and halogen bonded systemsEbrahimi, Ali / Habibi, Mostafa / Masoodi, Hamid Reza et al. | 2007
- 2269
-
The vibration–rotation kinetic energy operator for sequentially bonded tetra-atomic molecules in internal coordinatesEbrahimi, H. / Tafazzoli, M. et al. | 2007
- 2279
-
CASPT2 study of the electronic states of chlorodifluoromethane and chlorofluoromethane ionsLiu, T. / Huang, M.-B. et al. | 2007
- 2289
-
An isotopic error compensation method for rovibrational spectra of isotopic diatomic moleculesHou, Shilin / Sun, Weiguo et al. | 2007
- 2305
-
The strong OHO hydrogen bond. How much covalency?Majerz, Irena et al. | 2007
- 2315
-
Vibrational motion in the [image omitted] state of LiSH and LiSDKhadri, F. / Zaidi, A. / Lahmar, S. / Lakhdar, Z. B. / Rosmus, P. / Hochlaf, M. et al. | 2007
- 2315
-
Vibrational motion in the state of LiSH and LiSDKhadri, F. / Zaidi, A. / Lahmar, S. / Ben Lakhdar, Z. / Rosmus, P. / Hochlaf, M. et al. | 2007
- 2321
-
High-resolution infrared spectroscopy of H12C13CD and H13C12CD in the 470–5200 cm−1 spectral regionFusina, Luciano / Cané, Elisabetta / Tamassia, Filippo / Lonardo, Gianfranco Di et al. | 2007
- 2327
-
Interfacial properties of Morse fluidsSingh, J. K. / Adhikari, J. / Kwak, S. K. et al. | 2007
- 2329
-
Theoretical calculation of the integral cross-sections of the reaction H− + H2 → H2 + H − and its isotopic variantsLi, W. L. / Wang, M. S. et al. | 2007
- 2335
-
A BSSE-corrected CASSCF/NEVPT2 procedure. An application to weakly bonded OH..π heterodimer complexesKalatzis, F. G. / Demetropoulos, I. N. et al. | 2007
- 2345
-
Oscillatory structure of confined fluidsHenderson, JR et al. | 2007
- 2353
-
The noble gas dimers as a probe of the energetic contributions of dispersion and short-range electron correlation in weakly bound systemsHousden, M. P. / Pyper, N. C. et al. | 2007
- 2363
-
A variationally stable compact Hartree–Fock-style wavefunction for a non-degenerate first excited stateRichings, Gareth W. / Karadakov, Peter B. et al. | 2007
- 2375
-
Dependence of thermodynamic properties of model systems on some dissipative particle dynamics parametersGoicochea, A. Gama / Romero-Bastida, M. / López-Rendón, R. et al. | 2007
- 2383
-
Structure and diffusion in aluminium and gallium trihalide melts from simulations based on intramolecular force lawsRuberto, R. / Pastore, G. / Akdeniz, Z. / Tosi, M. P. et al. | 2007
- 2393
-
Selective-pivot sampling of radial distribution functions in asymmetric liquid mixturesMalherbe, J. G. / Krauth, W. et al. | 2007
- 2399
-
Isotopic effect in the solid–liquid phase diagram of quantum clustersRamírez, E. / López, G. E. et al. | 2007
- 2405
-
The compressive mechanical properties of Cn (n=20, 60, 80, 180) and endohedral M@C60 (M=Na, Al, Fe) fullerene moleculesShen, Haijun et al. | 2007
- 2411
-
Conformational and dielectric analysis of hydrogen bonded polar binary mixtures of propan-1-ol with propionaldehydeVishwam, T. / Chitra, M. / Subramanian, V. / Murthy, V. R. K. et al. | 2007
- 2419
-
Structure of polymer solutions at interfaces: a Monte Carlo simulation studyPatra, Chandra N. et al. | 2007
- 2423
-
Theoretical study of the [Si, C, P, O] potential energy surfaceLi, Fei / Li, Zhuo / Yu, Guang-Tao / Huang, Xu-Ri / Sun, Chia-Chung et al. | 2007
- 2433
-
Chiral discrimination in dispersion interactions and sum frequency generationHarris, Robert A. et al. | 2007