Investigation of Donor-Acceptor Interactions: A Charge Decomposition Analysis Using Fragment Molecular Orbitals von Dapprich, Stefan, Frenking, Gernot

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Combining Quantum Mechanics Methods with Molecular Mechanics Methods in ONIOM von Vreven, Thom, Byun, K. Suzie, Komáromi, István, Dapprich, Stefan, Montgomery, John A, Morokuma, Keiji, Frisch, Michael J

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Nature of the Metal−Alkene Bond in Platinum Complexes of Strained Olefins von Uddin, Jamal, Dapprich, Stefan, Frenking, Gernot, Yates, Brian F

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Structures, C-H and C-CH3 bond energies at borders of polycyclic aromatic hydrocarbons von MAY, Klaus, DAPPRICH, Stefan, FURCHE, Filipp, UNTERREINER, Barbara V, AHLRICHS, Reinhart

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A new ONIOM implementation in Gaussian98. Part I. The calculation of energies, gradients, vibrational frequencies and electric field derivatives von Dapprich, Stefan, Komáromi, István, Byun, K.Suzie, Morokuma, Keiji, Frisch, Michael J

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The keto/enol tautomerism of selenoformamide and telluroformamide von Dapprich, Stefan, Frenking, Gernot

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Structure and bonding of the remarkable donor acceptor complexes XBeO X NH NMe CO N C H C H H H CO O 3 3 2 2 2 2 4 2 2 2 von GERNOT FRENKING STEFAN DAPPRICH KLAUS F KOHLER WOLFRAM KOCH JACK R COLLINS

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Theory Does Not Support an Osmaoxetane Intermediate in the Osmium-Catalyzed Dihydroxylation of Olefins von Dapprich, Stefan, Ujaque, Gregori, Maseras, Feliu, Lledós, Agustí, Musaev, Djamaladdin G, Morokuma, Keiji

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Structure and Bonding of the Transition-Metal Carbonyl Complexes M(CO)5L (M = Cr, Mo, W) and M(CO)3L (M = Ni, Pd, Pt; L = CO, SiO, CS, N2, NO+, CN-, NC-, HCCH, CCH2, CH2, CF2, H2)1 von Ehlers, Andreas W, Dapprich, Stefan, Vyboishchikov, Sergei F, Frenking, Gernot

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Transition Metal Complexes with more than one Dihydrogen Ligand: Structure and Bonding of M(CO)6-x(H2)x (M = Cr, Mo, W; x = 1, 2, 3) [1] von Dapprich, Stefan, Frenking, Gernot

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Ligand Effects in Transition Metal Dihydrogen Complexes:  A Theoretical Study1 von Dapprich, Stefan, Frenking, Gernot

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Ligand Effects in Transition Metal Dihydrogen Complexes:  A Theoretical Study 1 von Dapprich, Stefan, Frenking, Gernot

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Structures and C-H bond energies of hydrogenated polycyclic aromatic hydrocarbons von MAY, Klaus, UNTERREINER, Barbara V, DAPPRICH, Stefan, AHLRICHS, Reinhart

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Structure and Bonding of Transition Metal Dihydrogen Complexes [M(CO)5(H2)] (M = Cr, Mo, W) von Dapprich, Stefan, Frenking, Gernot

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Struktur und Bindungsverhältnisse der Übergangsmetall‐Diwasserstoffkomplexe [M(CO)5(H2)] (M = Cr, Mo, W) von Dapprich, Stefan, Frenking, Gernot

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Structure and Bonding of the Transition-Metal Carbonyl Complexes M(CO) 5 L (M = Cr, Mo, W) and M(CO) 3 L (M = Ni, Pd, Pt; L = CO, SiO, CS, N 2 , NO + , CN - , NC - , HCCH, CCH 2 ,... von Ehlers, Andreas W., Dapprich, Stefan, Vyboishchikov, Sergei F., Frenking, Gernot

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Structure and bonding of the remarkable donor-acceptor complexes XBeO (X = NH3, NMe3, CO, N2, C2H2, C2H4, H2, H2CO, O2) von FRENKING, GERNOT, DAPPRICH, STEFAN, KOHLER, KLAUS, KOCH, WOLFRAM, COLLINS, JACK

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Trans-methyl-azido-bis(triisopropylphosphin)platin(II), [PtN3(CH3)(PiPr3)2] von Schlecht, Sabine, Faza, Naim, Massa, Werner, Dapprich, Stefan, Frenking, Gernot, Dehnicke, Kurt

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Struktur und Bindungsverhältnisse der Übergangsmetall-Diwasserstoffkomplexe [M(CO)5(H2)] (M = Cr, Mo, W) von Dapprich, Stefan, Frenking, Gernot

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Trinkschlauch für Laufwettbewerbe von DAPPRICH, STEFAN

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