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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	2000	C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces?	Salvador Sedano, Pedro ; Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
		C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces?	Salvador Sedano, Pedro ; Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
	2003	Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: application to (HF)n (n=3,4)	Salvador Sedano, Pedro ; Szczȩśniak, Malgorzata M.
		Counterpoise-corrected geometries and harmonic frequencies of N-body clusters: application to (HF)n (n=3,4)	Salvador Sedano, Pedro ; Szczȩśniak, Malgorzata M.
	2004	The curvature of the conical intersection seam: an approximate second-order analysis	Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
		The curvature of the conical intersection seam: an approximate second-order analysis	Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
	1999	The effect of counterpoise correction and relaxation energy term to the internal rotation barriers: application to the BF3 ...NH3 and C2H4 ...SO2 dimers	Salvador Sedano, Pedro ; Duran i Portas, Miquel
		The effect of counterpoise correction and relaxation energy term to the internal rotation barriers: application to the BF3 ...NH3 and C2H4 ...SO2 dimers	Salvador Sedano, Pedro ; Duran i Portas, Miquel
	1996	How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?	Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
		How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?	Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.

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Matèries

Energia de superfície Anàlisi d’error (Matemàtica) Error analysis (Mathematics) Optimització matemàtica Algorismes Carbon Layer structure (Solids)

Autors

Paterson, Martin J. Bearpark, Michael J. Dannenberg, J. J. Duran i Portas, Miquel Blancafort San José, Lluís Robb, Michael A. Szczȩśniak, Malgorzata M.