George Fitzgerald

发表

Benchmark and testing of the local density functional method for molecular systems

David A. Dixon, Erich Wimmer, Jan Andzelm, 1991 .

Electron redistribution on binding of a substrate to an enzyme: Folate and dihydrofolate reductase

Jürgen Bajorath, Jan Andzelm, George Fitzgerald, 1991, Proteins.

Theory and application of MBPT(3) gradients: The density approach

Rodney J. Bartlett, Gary W. Trucks, George Fitzgerald, 1987 .

Molecular gradients and hessians implemented in density functional theory

Andrew Komornicki, George Fitzgerald, G. Fitzgerald, 1993 .

Heterogeneous catalysis: looking forward with molecular simulation

John M. Newsam, Martin W. Doyle, Paul Saxe, 1999 .

Use of approximate integrals in ab initio theory. An application in MP2 energy calculations

Martin W. Feyereisen, Andrew Komornicki, George Fitzgerald, 1993 .

Molecular dipole moments and polarizabilities from local density functional calculations: Application to DNA base pairs

George Fitzgerald, Paul G. Jasien, P. Jasien, 1990 .

Is fifth-order MBPT enough?

Rodney J. Bartlett, George Fitzgerald, R. Bartlett, 1985 .

Chemical bonding in water clusters

George Fitzgerald, G. Fitzgerald, Han Chen, 1995 .