An ab initio SCF-LCAO-MO study of the nitrogen inversion barriers in methylenimine, diimide and carbodiimide

JOURNAL ARTICLE published 1968 in Theoretica Chimica Acta

Authors: J. M. Lehn | B. Munsch

Sur les propri�t�s �lectroniques de la ph�nothiazine et de son radical

JOURNAL ARTICLE published 1964 in Theoretica Chimica Acta

Authors: Jean -Paul Malrieu | Bernard Pullman

Transferred hyperfine structure interactions in transition metal complexes

JOURNAL ARTICLE published 1975 in Theoretica Chimica Acta

Authors: Sven Larsson

A theory of molecules in molecules IV. Application to the Hydrogen Bonding Interaction in NH3 � H2O

JOURNAL ARTICLE published March 1973 in Theoretica Chimica Acta

Authors: Wolfgang Niessen

The method of ascending symmetry for irreducible characters of finite groups

JOURNAL ARTICLE published September 1986 in Theoretica Chimica Acta

Authors: Noam Agmon

Physical properties of many-electron atomic systems evaluated from analytical Hartree-Fock functions

JOURNAL ARTICLE published 1966 in Theoretica Chimica Acta

Authors: Gulzari Malli | Serafin Fraga

Simplified non-empirical excited states calculations

JOURNAL ARTICLE published 1973 in Theoretica Chimica Acta

Authors: I. Fischer-Hjalmars | J. Kowalewski

Study of weak interactions of boron nitride nanotubes with anticancer drug by quantum chemical calculations

JOURNAL ARTICLE published October 2020 in Theoretical Chemistry Accounts

Authors: Jonatan I. Sánchez S. | J. F. Rivas-Silva | Dolores García-Toral

Molecular electric polarizabilities

JOURNAL ARTICLE published 1978 in Theoretica Chimica Acta

Authors: Andrzej J. Sadlej

Comments about the representation of Rydberg and ionic excited states and their photochemistry

JOURNAL ARTICLE published 1981 in Theoretica Chimica Acta

Authors: Jean-Paul Malrieu

Self-consistent perturbation theory for conjugated molecules

JOURNAL ARTICLE published April 1966 in Theoretica Chimica Acta

Authors: A. T. Amos | G. G. Hall

The determination of electronic ground and singlet state wavefunctions of BH

JOURNAL ARTICLE published 1974 in Theoretica Chimica Acta

Authors: S. A. Houlden | Imre G. Csizmadia

Localization of the filled and virtual orbitals in the nucleotide bases

JOURNAL ARTICLE published 1983 in Theoretica Chimica Acta

Authors: J. Cizek | W. F�rner | J. Ladik

First and second-order properties of charge-localized and Frost-localized orbitals

JOURNAL ARTICLE published 1975 in Theoretica Chimica Acta

Authors: A. Terry Amos | Raymond J. Crispin | Richard A. Smith

SCFMO calculations of heteroatomic systems with the variable? approximation

JOURNAL ARTICLE published April 1966 in Theoretica Chimica Acta

Authors: Kichisuke Nishimoto | Leslie S. Forster

Calculations on some excited states of He?

JOURNAL ARTICLE published 1970 in Theoretica Chimica Acta

Authors: I. Eliezer | Y. K. Pan

A Molecular orbital description for sulfur compounds of valences 2, 4 and 6

JOURNAL ARTICLE published 1974 in Theoretica Chimica Acta

Authors: Vlasta Bona?i? Kouteck� | Jeremy I. Musher

MO-SCF-LCAO studies of sulphur compounds

JOURNAL ARTICLE published 1971 in Theoretica Chimica Acta

Authors: U. Gelius | B. Roos | P. Siegbahn

Theoretical study of the barriers to internal rotation in nitrous acid

JOURNAL ARTICLE published 1970 in Theoretica Chimica Acta

Authors: Maurice E. Schwartz | Edward F. Hayes | Stephen Rothenberg

Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom

JOURNAL ARTICLE published September 2015 in Theoretical Chemistry Accounts

Research funded by NCN (Poland) (DEC-2012/07/B/ST4/00553)

Authors: Jerzy Cioslowski