1975
For availability of preprints see personal webpage of co-workers
75-001B.M.Rode, M.Breuss, and P.Schuster.
Ionic formation in Formic Acid. A Comparison of Nonempirical and Semiempirical Results for the Cation Solvent Complexes.
Chem.Phys.Lett. 32: 34-37, 1975
75-002
P.Schuster, W.Jakubetz, and W.Marius.
Molecular Models for the Solvation of Small Ions and Polar Molecules.
Topics in Current Chemistry 60: 1-107, 1975
75-003
P.Schuster, W.Marius, A.Pullman, and H.Berthod.
The Interaction of Alkali Metal Cations With Oxygen Containing Ligands.
Theoret.Chim.Acta 40: 323-341, 1975
75-004
Yu.A.Kruglyak, G.V.Bugrij, P.Schuster, and A.Beyer.
To the Analysis of the Interaction Between Lithium Ion and Nitrogen Molecule.
The Institute of Theoretical Physics of the Ukrainian Academy of Science:
Report No.ITP-75-127R, pp.1-35, Kiew 1975
75-005
N.Tyutyulkov, S.Stoyanov, M.Taseva, and P.Schuster.
Quantum Chemical (SCF-CI) Investigations on Electronic Structures and Spectra of Photocoloured Open Chain Merocyanide Forms of Indoline Spiropyrans.
J.Signal AM 3: 435-442, 1975
75-006
R.Ahlrichs, H.Lischka, V.Staemmler and W.Kutzelnigg.
PNO-CI (Pair Natural Orbital Configuration Interaction) and CEPA-PNO (Coupled Electron Pair Approximation with Pair Natural Orbitals) Calculations of Molecular Systems I. Outline of the Method for Closed Shell States.
J.Chem.Phys. 62: 1225-1234, 1975
75-007
R.Ahlrichs, F.Driessler, H.Lischka, V.Staemmler and W.Kutzelnigg.
PNO-CI (Pair Natural Orbital Configuration Interaction) and CEPA-PNO (Coupled Electron Pair Approximation with Pair Natural Orbitals) Calculations of Molecular Systems II. The Molecules BeH2, BH, BH3, CH4, (CH3)-, NH3 (planar and pyramidal), H2O, O(H3)+, HF and the Ne atom.
J.Chem.Phys. 62: 1235-1247, 1975
75-008
R.Ahlrichs, F.Keil, H.Lischka, and W.Kutzelnigg.
PNO-CI (Pair Natural Orbital Configuration Interaction) and CEPA-PNO (Coupled Electron Pair Approximation with Pair Natural Orbitals) Calculations of Molecular Systems III. The Molecules MgH2, AlH, SiH4, PH3, H2S, HCl and the Ar Atom.
J.Chem.Phys. 63: 455-463, 1975
75-009
R.Ahlrichs, H.Lischka, B.Zurawski, and W.Kutzelnigg.
PNO-CI (Pair Natural Orbital Configuration Interaction) and CEPA-PNO (Coupled Electron Pair Approximation with Pair Natural Orbitals) Calculations of Molecular Systems IV. The Molecules N2, F2, C2H2, C2H4 and C2H6.
J.Chem.Phys. 63: 4685-4694, 1975
75-010
J.N.L.Connor, W.Jakubetz, and J.Manz.
Exact Quantum Transition Probabilities by the State Path Sum Method: Collinear F+H2 Reaction.
Mol.Phys. 29: 347-355, 1975
75-011
J.N.L.Connor, and W.Jakubetz.
Interference Effects in Large Angle Elastic Scattering of Chemically Reactive Systems.
Chem.Phys.Lett. 36: 29-33, 1975
75-012
A.Karpfen, J.Ladik, G.Stollhoff, and P.Fulde.
All-valence-electron band structures of infinite stacked poly (TCNQ)\hfil\break and poly (TTF) chains.
Chem.Phys.Lett. 31: 291-295, 1975
75-013
J.Ladik, A.Karpfen, G.Stollhoff, and P.Fulde.
Investigation of the electronic structure of the TCNQ-TTF system I. TCNQ and TTF monomers and dimers in the all-valence- electron approximation.
Chem.Phys. 7: 267-277, 1975
75-014
A.Karpfen, J.Ladik, G.Stollhoff, and P.Fulde.
Investigation of the electronic structure of the TCNQ-TTF system II. All valence electronic band structures of infinite TCNQ and TTF chains.
Chem.Phys. 8: 215-222, 1975
75-015
R.Bednar, O.E.Polansky, and P.Wolschann.
Die Lewissäureeigenschaften einiger Barbitursäurederivate. Zur Kenntnis organischer Lewissäuren 31.Mitt.
Zeitschr.f Naturforsch. 30b: 582, 1975
75-016
T.Hoffmann-Ostenhof, and M.Hoffmann-Ostenhof.
Variational bounds to the overlap.
Chem.Phys.Lett. 31: 277-280, 1975
75-017
T.Hoffmann-Ostenhof, and M.Hoffmann-Ostenhof.
Eine Ungleichung für die Funktionswerte einer samt ihrer Ableitung quadratintegrablen Funktion.
Anz.österr.Akad.Wiss. 8: 91-95, 1975