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 ; 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

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