Prof. Dr. Zhengli Cai

Profil

Derzeitige StellungProfessor W-2 und Äquivalente
FachgebietTheoretische Chemie: Elektronenstruktur, Dynamik, Simulation,Spektroskopie,Bioinformatik und Theoretische Biologie
KeywordsMolecular Modelling and Simulations, Theoretical Chemistry, Molecular Spectroscopy, Molecular Mechanisms of ET in Photosynthesis

Aktuelle Kontaktadresse

LandAustralien
OrtSydney
Universität/InstitutionUniversity of Sydney
Institut/AbteilungSchool of Chemistry, F11

Gastgeber*innen während der Förderung

Prof. Dr. Robert J. BuenkerFach Theoretische Chemie, Bergische Universität Wuppertal, Wuppertal
Beginn der ersten Förderung01.02.1995

Programm(e)

1992Humboldt-Forschungsstipendien-Programm

Publikationen (Auswahl)

2004M. Chen, H. Zeng, A.W.D. Larkum and Z.-L. Cai: Raman properties of chlorophyll d, the major pigment of Acaryochloris marina: studies using both Raman spectroscopy and density functional theory. In: Spectrochim. Acta Part A: Mol. & Biomol. Spectrosc. , 2004, 527-534
2003P. Nieuwenburg, R.J. Clark, Z.-L. Cai, M. Chen, A.W.D. Larkum, N.M. Cabral, K.P. Ghiggino and J.R. Reimers: Examination of the photophysical process of chlorophyll d leading to a clarification of proposed uphill energy transfer processes in cells of Acarychloris marina. In: Photochem. Photobiol. , 2003, 628-637
2003J.R. Reimers, Z.-L. Cai, A. Bilic and N.S. Hush: The appropriateness of density-functional theory (DFT) for calculations of molecular electronics properties. In: Ann. N.Y. Acad. Sci. , 2003, 235-251
2003G. Fischer, Z.-L. Cai, J.R. Reimers and P. Wormell: The singlet and triplet valence excited-states of pyrimidine. In: J. Phys. Chem. A , 2003, 3093-3106
2002Zheng-li Cai, K. Sendt and J.R. Reimers Failure of time-dependent density-functional theory for large extended pi systems . In: J. Chem. Phys. , 2002, 5943-5949
2002Zheng-li Cai, Heping Zeng, Min Chen, Anthony W.D. Larkum: Raman spectroscopy of chlorophyll d from Acarychloris marina. In: Biochimica et Biophysica Acta - Bioenergetics, 2002, 89-91
2002Z.-L. Cai and J.R. Reimers: The first singlet (n,p*) and (p,p*) excited states of the hydrogen-bonded complex between water and pyridine . In: J. Phy. Chem. A, 2002, 8769-8778
2000Z.-L. Cai and J.R. Reimers: Application of time-dependent density-functional to the 3Su¿{ first excited state of H2 . In: J. Chem. Phys., 2000, 527-530
2000Z.-L. Cai and J.R. Reimers: Time-dependent density-functional determination of arbitrary singlet and triplet excited-states potential energy surfaces: Application to water molecule . In: J. Chem. Phys., 2000, 7084-7096