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	1.	Geometry optimization in density functional methods. [electronic resource] by Reveles, J Ulises Köster, Andreas M Producer: 20040713 In: Journal of computational chemistry vol. 25 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	Auxiliary density perturbation theory. [electronic resource] by Flores-Moreno, Roberto Köster, Andreas M Producer: 20080619 In: The Journal of chemical physics vol. 128 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Robust and efficient variational fitting of Fock exchange. [electronic resource] by Mejía-Rodríguez, Daniel Köster, Andreas M Producer: 20150706 In: The Journal of chemical physics vol. 141 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	First-Principle Calculations of Large Fullerenes. [electronic resource] by Calaminici, Patrizia Geudtner, Gerald Köster, Andreas M Producer: 20151201 In: Journal of chemical theory and computation vol. 5 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	A hierarchical transition state search algorithm. [electronic resource] by Del Campo, Jorge M Köster, Andreas M Producer: 20081024 In: The Journal of chemical physics vol. 129 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Structures and vibrations of Nb3O and Nb3O-: a density functional study. [electronic resource] by Calaminici, Patrizia Flores-Moreno, Roberto Köster, Andreas M Producer: 20061101 In: The Journal of chemical physics vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	NMR shielding tensors from auxiliary density functional theory. [electronic resource] by Zuniga-Gutierrez, Bernardo Geudtner, Gerald Köster, Andreas M Producer: 20110725 In: The Journal of chemical physics vol. 134 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	8.	Electron localization function as information measure. [electronic resource] by Nalewajski, Roman F Köster, Andreas M Escalante, Sigfrido Producer: 20070724 In: The journal of physical chemistry. A vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	9.	Magnetizability tensors from auxiliary density functional theory. [electronic resource] by Zuniga-Gutierrez, Bernardo Geudtner, Gerald Köster, Andreas M Producer: 20130211 In: The Journal of chemical physics vol. 137 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	10.	13C NMR pattern of Sc3N@C68. Structural assignment of the first fullerene with adjacent pentagons. [electronic resource] by Reveles, J Ulises Heine, Thomas Köster, Andreas M Producer: 20070621 In: The journal of physical chemistry. A vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	11.	Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods. [electronic resource] by Janetzko, Florian Köster, Andreas M Salahub, Dennis R Producer: 20080403 In: The Journal of chemical physics vol. 128 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	12.	Density Functional Study of the Structure and Properties of Cu9 and Cu9(-) . [electronic resource] by Calaminici, Patrizia Köster, Andreas M Gómez-Sandoval, Zeferino Producer: 20151203 In: Journal of chemical theory and computation vol. 3 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	13.	Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations. [electronic resource] by Janetzko, Florian Bredow, Thomas Geudtner, Gerald Köster, Andreas M Producer: 20080904 In: Journal of computational chemistry vol. 29 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	14.	Efficient and reliable numerical integration of exchange-correlation energies and potentials. [electronic resource] by Köster, Andreas M Flores-Moreno, Roberto Reveles, J Ulises Producer: 20061120 In: The Journal of chemical physics vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	15.	Time-dependent auxiliary density perturbation theory. [electronic resource] by Carmona-Espíndola, Javier Flores-Moreno, Roberto Köster, Andreas M Producer: 20101210 In: The Journal of chemical physics vol. 133 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	16.	How important are temperature effects for cluster polarizabilities? [electronic resource] by Gamboa, Gabriel U Calaminici, Patrizia Geudtner, Gerald Köster, Andreas M Producer: 20090402 In: The journal of physical chemistry. A vol. 112 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	17.	Calculation of exchange-correlation potentials with auxiliary function densities. [electronic resource] by Köster, Andreas M Reveles, J Ulises del Campo, Jorge M Producer: 20061101 In: The Journal of chemical physics vol. 121 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	18.	Separation of sigma and pi energies. [electronic resource] by Köster, Andreas M Calaminici, Patrizia Geudtner, Gerald Gómez-Sandoval, Zeferino Producer: 20070717 In: The journal of physical chemistry. A vol. 109 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	19.	Comparison of the auxiliary density perturbation theory and the noniterative approximation to the coupled perturbed Kohn-Sham method: case study of the polarizabilities of disubstituted azoarene molecules. [electronic resource] by Shedge, Sapana V Carmona-Espíndola, Javier Pal, Sourav Köster, Andreas M Producer: 20100504 In: The journal of physical chemistry. A vol. 114 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	20.	Parallelization of the deMon2k code. [electronic resource] by Geudtner, Gerald Janetzko, Florian Köster, Andreas M Vela, Alberto Calaminici, Patrizia Producer: 20060502 In: Journal of computational chemistry vol. 27 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)

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Your search returned 45 results.