Artikel

Balasubramanian, Ganesh ; Schulte, Joachim ; Mueller-Plathe, Florian ; Boehm, Michael C. (2012)
Structural and thermochemical properties of a photoresponsive spiropyran and merocyanine pair: Basis set and solvent dependence in density functional predictions.
In: Chemical Physics Letters, 554
Artikel, Bibliographie

Alaghemandi, Mohammad ; Schulte, Joachim ; Leroy, Frederic ; Mueller-Plathe, Florian ; Boehm, Michael C. (2011)
Correlation between Thermal Conductivity and Bond Length Alternation in Carbon Nanotubes: A Combined Reverse Nonequilibrium Molecular Dynamics-Crystal Orbital Analysis.
In: Journal of Computational Chemistry, 32
Artikel, Bibliographie

Böhm, Michael C. ; Ramirez, Rafael ; Schulte, Joachim (2007)
On the influence of vibrational modes and intramolecular isomerization processes on the NMR parameters of bullvalene : A Feynman path integral - ab initio investigation.
In: Chemical Physics, 342
Artikel, Bibliographie

Schulte, Joachim ; Ramirez, Rafael ; Böhm, Michael C. (2006)
Influence of nuclear fluctuations on the NMR parameters of bullvalene : A Feynman path integral - Ab initio study.
In: Chemical Physics Letters, 432
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, Joachim ; Ramírez, Rafael (2002)
Excited state properties of C 6 H 6 and C 6 D 6 studied by Feynman path integral - ab initio simulations.
In: Journal of physical chemistry A, 106
Artikel, Bibliographie

Ramírez, Rafael ; Böhm, Michael C. ; Schulte, Joachim (2002)
Feynman path integral - ab initio investigation of the excited-state properties of benzene.
In: Journal of physics B: atomic, molecular and optical physics, 35
Artikel, Bibliographie

Böhm, Michael C. ; Schulte, Joachim ; Ramírez, Rafael (2002)
On the influence of nuclear fluctuations and calculated NMR shieldings of benzene and ethylene : a Feynman path integral - ab initio investigation.
In: International journal of quantum chemistry, 86
Artikel, Bibliographie

Schulte, Joachim ; Böhm, Michael C. ; Dinse, Klaus-Peter (1998)
Electronic structure of endohedral SC@C82; an ab initio Hartree-Fock analysis.
In: Journal of molecular structure, 427 (1/3)
doi: 10.1016/S0166-1280(97)00349-7
Artikel, Bibliographie

Gruß, Andrea ; Böhm, Michael C. ; Schulte, Joachim ; Dinse, Klaus-Peter (1998)
An ab initio Hartree-Fock investigation of endohedral Sc@C82.
In: Zeitschrift für Naturforschung A, 53 (9)
doi: 10.1515/zna-1998-0913
Artikel, Bibliographie

Schulte, Joachim (1996)
Electronic structure of endohedral Y@C82; an ab initio Hartree-Fock investigation.
In: Chemical physics letters. 259 (1996), S. 48-54
Artikel, Bibliographie

Konferenzveröffentlichung

Schulte, Joachim ; Böhm, Michael C. ; Dinse, Klaus-Peter
Hrsg.: Kuzmany, Hans (1997)
Electronic structure of Sc@C82.
I11th International Winter School on Electronics Properties of Novel Materials. Kirchberg, Tirol (1997)
Konferenzveröffentlichung, Bibliographie

Dissertation

Schulte, Joachim (1996)
Elektronische Eigenschaften ungewöhnlicher Festkörper.
Technische Universität Darmstadt
Dissertation, Bibliographie