Volume 58, Issue 4 | Theoretical Chemistry Accounts

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Volume 58, Issue 4

December 1981

12 articles in this issue

Fragment interaction analysis of structural problems in the framework ofAb initio SCF-MO computations
Fernando Bernardi
Andrea Bottoni
Original Investigations Pages: 245 - 255
Fragment interaction analysis of structural problems in the framework ofAb initio SCF-MO computations
Fernando Bernardi
Andrea Bottoni
Original Investigations Pages: 245 - 255
Electronic band structures and electronic properties of some substituted linear polyenes
E. A. Cetina V
Peter G. Perkins
Original Investigations Pages: 257 - 283
Electronic band structures and electronic properties of some substituted linear polyenes
E. A. Cetina V
Peter G. Perkins
Original Investigations Pages: 257 - 283
Ab initio Studies, using the FSGO-pseudopotential method, of the electronic structure in group IV cluster molecules M(LH₃)₄; M, L = C, Si, Ge
Jeffrey J. Toman
Arthur A. Frost
Mark A. Ratner
Original Investigations Pages: 285 - 294
Ab initio Studies, using the FSGO-pseudopotential method, of the electronic structure in group IV cluster molecules M(LH₃)₄; M, L = C, Si, Ge
Jeffrey J. Toman
Arthur A. Frost
Mark A. Ratner
Original Investigations Pages: 285 - 294
The theorem of hohenberg and kohn for subdomains of a quantum system
Jürg Riess
Walter Münch
Original Investigations Pages: 295 - 300
The theorem of hohenberg and kohn for subdomains of a quantum system
Jürg Riess
Walter Münch
Original Investigations Pages: 295 - 300
Extended hessian matrix along the reaction coordinate
Akitomo Tachibana
Original Investigations Pages: 301 - 308
Extended hessian matrix along the reaction coordinate
Akitomo Tachibana
Original Investigations Pages: 301 - 308
Catchment region partitioning of energy hypersurfaces, I
Paul G. Mezey
Original Investigations Pages: 309 - 330
Catchment region partitioning of energy hypersurfaces, I
Paul G. Mezey
Original Investigations Pages: 309 - 330