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Vibrational treatment of hydroxylamine in valence coordinates
Falk Richter
,
Philippe Carbonnière
Journal articles
hal-03607562v1
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Calculation of anharmonic IR and Raman intensities for periodic systems from DFT Calculations. Implementation and Validation
Philippe Carbonnière
,
Alessandro Erba
,
Falk Richter
,
Roberto Dovesi
,
Michel Rérat
Journal articles
hal-02541536v1
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Anharmonic Vibrational Treatment Exclusively in Curvilinear Valence Coordinates: The Case of Formamide
Falk Richter
,
F. Thaunay
,
D. Lauvergnat
,
Philippe Carbonnière
Journal articles
hal-02343865v1
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Time-dependent wave packet study on trans-cis isomerization of HONO
Falk Richter
,
P. Rosmus
,
F. Gatti
,
H.-D. Meyer
Journal articles
hal-01623039v1
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Vibrational treatment of the formic acid double minimum case in valence coordinates.
Falk Richter
,
Philippe Carbonnière
Journal articles
hal-01710610v1
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An adaptive potential energy surface generation method using curvilinear valence coordinates
Falk Richter
,
Philippe Carbonnière
,
Alain Dargelos
,
Claude Pouchan
Journal articles
hal-01598688v1
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Vibrational states of deuterated trans - and cis -formic acid: DCOOH, HCOOD, and DCOOD
Antoine Aerts
,
Philippe Carbonnière
,
Falk Richter
,
Alex Brown
Journal articles
hal-02464246v1
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Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field
Gauthier Pasin
,
Christophe Iung
,
Fabien Gatti
,
Falk Richter
,
Céline Léonard
,
et al.
Journal articles
hal-00828685v1
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A study of the mode-selective trans–cis isomerization in HONO using ab initio methodology
Falk Richter
,
Majdi Hochlaf
,
Pavel Rosmus
,
Fabien Gatti
,
Hans-Dieter Meyer
Journal articles
hal-01622992v1
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Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field
Falk Richter
,
Fabien Gatti
,
Céline Léonard
,
Frederic Le Quere
,
Hans-Dieter Meyer
Journal articles
hal-00184763v1
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Gas-phase infrared spectra of three compounds of astrochemical interest: vinyl, allenyl, and propargyl isocyanides.
Abdessamad Benidar
,
Didier Bégué
,
Falk Richter
,
Claude Pouchan
,
Mohammed Lahcini
,
et al.
Journal articles
istex
hal-01133037v1
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Toward linear scaling: Locality of potential energy surface coupling in valence coordinates
Falk Richter
,
Philippe Carbonnière
,
Claude Pouchan
International Journal of Quantum Chemistry, 2014, 114 (20), pp.1401 - 1411. ⟨10.1002/qua.24694⟩
Journal articles
istex
hal-01623001v1
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