ACNP - Italian Periodicals Catalogue

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Results: 1-23 |

Results: 23

Theoretical study on clusters of magnesium

Authors: Kohn, A Weigend, F Ahlrichs, R

Citation: A. Kohn et al., Theoretical study on clusters of magnesium, PHYS CHEM P, 3(5), 2001, pp. 711-719

Sodium tetra-tert-butylcyclopentaphosphanide: Synthesis, structure, and unexpected formation of a nickel(0) tri-tert-butylcyclopentaphosphene complex

Authors: Schisler, A Lonnecke, P Huniar, U Ahlrichs, R Hey-Hawkins, E

Citation: A. Schisler et al., Sodium tetra-tert-butylcyclopentaphosphanide: Synthesis, structure, and unexpected formation of a nickel(0) tri-tert-butylcyclopentaphosphene complex, ANGEW CHEM, 40(22), 2001, pp. 4217-4219

Fullerene C-80: Are there still more isomers?

Authors: Furche, F Ahlrichs, R

Citation: F. Furche et R. Ahlrichs, Fullerene C-80: Are there still more isomers?, J CHEM PHYS, 114(23), 2001, pp. 10362-10367

Contracted all-electron Gaussian basis sets for atoms Rb to Xe

Authors: Ahlrichs, R May, K

Citation: R. Ahlrichs et K. May, Contracted all-electron Gaussian basis sets for atoms Rb to Xe, PCCP PHYS C, 2(5), 2000, pp. 943-945

Electronic shell structure in monoxides and dioxides of sodium

Authors: Elliott, SD Ahlrichs, R

Citation: Sd. Elliott et R. Ahlrichs, Electronic shell structure in monoxides and dioxides of sodium, PCCP PHYS C, 2(3), 2000, pp. 313-318

Structures, C-H and C-CH3 bond energies at borders of polycyclic aromatic hydrocarbons (vol 2, pg 5084, 2000)

Authors: May, K Dapprich, S Furche, F Unterreiner, BV Ahlrichs, R

Citation: K. May et al., Structures, C-H and C-CH3 bond energies at borders of polycyclic aromatic hydrocarbons (vol 2, pg 5084, 2000), PHYS CHEM P, 2(24), 2000, pp. 5771-5771

Structures, C-H and C-CH3 bond energies at borders of polycyclic aromatic hydrocarbons

Authors: May, K Dapprich, S Furche, F Unterreiner, BV Ahlrichs, R

Citation: K. May et al., Structures, C-H and C-CH3 bond energies at borders of polycyclic aromatic hydrocarbons, PHYS CHEM P, 2(22), 2000, pp. 5084-5088

Structures and C-H bond energies of hydrogenated polycyclic aromatic hydrocarbons

Authors: May, K Unterreiner, BV Dapprich, S Ahlrichs, R

Citation: K. May et al., Structures and C-H bond energies of hydrogenated polycyclic aromatic hydrocarbons, PHYS CHEM P, 2(22), 2000, pp. 5089-5092

Auto-ionised products from the reaction of sodium clusters with dioxygen: Theory and experiment

Authors: Elliott, SD Ahlrichs, R Hampe, O Kappes, MM

Citation: Sd. Elliott et al., Auto-ionised products from the reaction of sodium clusters with dioxygen: Theory and experiment, PHYS CHEM P, 2(15), 2000, pp. 3415-3424

[{Ag(tBuNH(2))(2)}(4)][{Ag(tBuNH(2))-(tBuN=CHCH3)}(2)][Ag-12(CF3CO2)(14)]:A compound with an Ag-12(8+) cluster core

Authors: Reiss, P Weigend, F Ahlrichs, R Fenske, D

Citation: P. Reiss et al., [{Ag(tBuNH(2))(2)}(4)][{Ag(tBuNH(2))-(tBuN=CHCH3)}(2)][Ag-12(CF3CO2)(14)]:A compound with an Ag-12(8+) cluster core, ANGEW CHEM, 39(21), 2000, pp. 3925

Synthesis, crystal structure, and binding properties of the mixed valence clusters [Cu32As30(dppm)(8)] and [Cu26Te12(PEt2Ph)(12)]

Authors: Ahlrichs, R Besinger, J Eichhofer, A Fenske, D Gbureck, A

Citation: R. Ahlrichs et al., Synthesis, crystal structure, and binding properties of the mixed valence clusters [Cu32As30(dppm)(8)] and [Cu26Te12(PEt2Ph)(12)], ANGEW CHEM, 39(21), 2000, pp. 3929

Synthesis, structures and theoretical investigation of [Cu-4(P2S6)(PPh3)(4)], [Cu-6(P2S6)Cl-2(PPh3)(6)], and [Au-4(P2S6)(PPh3)(4)]

Authors: Weigend, F Wirth, S Ahlrichs, R Fenske, D

Citation: F. Weigend et al., Synthesis, structures and theoretical investigation of [Cu-4(P2S6)(PPh3)(4)], [Cu-6(P2S6)Cl-2(PPh3)(6)], and [Au-4(P2S6)(PPh3)(4)], CHEM-EUR J, 6(3), 2000, pp. 545-551

Photodissociation spectroscopy of Ag-4(+)(N-2)(m), m = 0-4 (vol 113, pg 5361, 2000)

Authors: Schooss, D Gilb, S Kaller, J Kappes, MM Furche, F Kohn, A May, K Ahlrichs, R

Citation: D. Schooss et al., Photodissociation spectroscopy of Ag-4(+)(N-2)(m), m = 0-4 (vol 113, pg 5361, 2000), J CHEM PHYS, 113(22), 2000, pp. 10413-10415

Photodissociation spectroscopy of Ag-4(+)(N-2)(m), m=0-4

Authors: Schooss, D Gilb, S Kaller, J Kappes, MM Furche, F Kohn, A May, K Ahlrichs, R

Citation: D. Schooss et al., Photodissociation spectroscopy of Ag-4(+)(N-2)(m), m=0-4, J CHEM PHYS, 113(13), 2000, pp. 5361-5371

Comment on "Assessment of exchange correlation functionals" [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160-166]

Authors: Ahlrichs, R Furche, F Grimme, S

Citation: R. Ahlrichs et al., Comment on "Assessment of exchange correlation functionals" [A.J. Cohen, N.C. Handy, Chem. Phys. Lett. 316 (2000) 160-166], CHEM P LETT, 325(1-3), 2000, pp. 317-321

Circular dichroism of helicenes investigated by time-dependent density functional theory

Authors: Furche, F Ahlrichs, R Wachsmann, C Weber, E Sobanski, A Vogtle, F Grimme, S

Citation: F. Furche et al., Circular dichroism of helicenes investigated by time-dependent density functional theory, J AM CHEM S, 122(8), 2000, pp. 1717-1724

Synthesis and structure of a neutral SiAl14 cluster

Authors: Purath, A Dohmeier, C Ecker, A Koppe, R Krautscheid, H Schnockel, H Ahlrichs, R Stoermer, C Friedrich, J Jutzi, P

Citation: A. Purath et al., Synthesis and structure of a neutral SiAl14 cluster, J AM CHEM S, 122(29), 2000, pp. 6955-6959

Ab initio treatment of (H2O)(2)(-) and (H2O)(6)(-)

Authors: Weigend, F Ahlrichs, R

Citation: F. Weigend et R. Ahlrichs, Ab initio treatment of (H2O)(2)(-) and (H2O)(6)(-), PCCP PHYS C, 1(19), 1999, pp. 4537-4540

Clusters of aluminium, a density functional study

Authors: Ahlrichs, R Elliott, SD

Citation: R. Ahlrichs et Sd. Elliott, Clusters of aluminium, a density functional study, PCCP PHYS C, 1(1), 1999, pp. 13-21

[In-3(In-2)(3)(PhP)(4)(Ph2P2)(3)Cl-7(PEt3)(3)] - A new molecular III/V compound featuring an unusual 19-atom cage

Authors: von Hanisch, C Fenske, D Kattannek, M Ahlrichs, R

Citation: C. Von Hanisch et al., [In-3(In-2)(3)(PhP)(4)(Ph2P2)(3)Cl-7(PEt3)(3)] - A new molecular III/V compound featuring an unusual 19-atom cage, ANGEW CHEM, 38(18), 1999, pp. 2736-2738

Formation and structure of the iso-tetraphosphane P((PBu2)-Bu-t)(3): a molecule with a planar three-coordinated P-atom

Authors: Fritz, G Matern, E Krautscheid, H Ahlrichs, R Olkowska, JW Pikies, J

Citation: G. Fritz et al., Formation and structure of the iso-tetraphosphane P((PBu2)-Bu-t)(3): a molecule with a planar three-coordinated P-atom, Z ANORG A C, 625(10), 1999, pp. 1604-1607

Geometry optimization in generalized natural internal coordinates

Authors: von Arnim, M Ahlrichs, R

Citation: M. Von Arnim et R. Ahlrichs, Geometry optimization in generalized natural internal coordinates, J CHEM PHYS, 111(20), 1999, pp. 9183-9190

Absolute acidities and site specific properties of zeolite catalysts modelled by advanced computational chemistry technology

Authors: Sauer, J Eichler, U Meier, U Schafer, A von Arnim, M Ahlrichs, R

Citation: J. Sauer et al., Absolute acidities and site specific properties of zeolite catalysts modelled by advanced computational chemistry technology, CHEM P LETT, 308(1-2), 1999, pp. 147-154

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