Aaron M. Lee

发表

Advances in methods and algorithms in a modern quantum chemistry program package.

Shawn T. Brown, Andrew C. Simmonett, R. D. Adamson, 2006, Physical chemistry chemical physics : PCCP.

OPTIMAL PARTITION OF THE COULOMB OPERATOR

Stephen W. Taylor, Jeremy P. Dombroski, Peter M. W. Gill, 1997 .

The density functional calculation of nuclear shielding constants using London atomic orbitals

Nicholas C. Handy, N. Handy, Aaron M. Lee, 1995 .

The determination of hyperpolarizabilities using density functional theory with nonlocal functionals

Aaron M. Lee, Susan M. Colwell, 1994 .

Substituent Effects on Dynamics at Conical Intersections: α,β-Enones

T. Martínez, Aaron M. Lee, J. Coe, 2007 .

The calculation of magnetisabilities using current density functional theory

N. Handy, Aaron M. Lee, S. Colwell, 1994 .

Exchange vector potentials in current-density functional theory

N. Handy, Aaron M. Lee, 1999 .

Structural Consequences of S → Se Substitution in some Symmetrical [M(S2CNR2)3] Complexes

Aaron M. Lee, N. V. Duffy, B. Skelton, 2006 .

Synthetic, Structural and Vibrational Spectroscopic Studies in Bismuth(III) Halide/N,N′-Aromatic Bidentate Base Systems. I Large-Cation (2,2′-Bipyridinium and 1,10-Phenan- throlinium) Salts of Polyhalobismuthate(III) Ions

Aaron M. Lee, P. Junk, B. Skelton, 1998 .

Q‐Chem 2.0: a high‐performance ab initio electronic structure program package

Jon Baker, Manabu Oumi, Christian Ochsenfeld, 2000, J. Comput. Chem..

The adiabatic approximation

N. Handy, Aaron M. Lee, 1996 .

Insights from Coulomb and exchange intracules

R. D. Adamson, P. Gill, Aaron M. Lee, 2000 .

Q-Chem 2.0: a high-performance ab initio electronic structure program package

Weimin Zhang, Arieh Warshel, So Hirata, 2000, J. Comput. Chem..

Computation of Coulomb and exchange radial intracule densities

P. Gill, Aaron M. Lee, 1999 .

SYNTHETIC, STRUCTURAL AND VIBRATIONAL SPECTROSCOPIC STUDIES IN BISMUTH(III) HALIDE/N,N'-AROMATIC BIDENTATE BASE SYSTEMS. III. SOME NOVEL BISMUTH(III) HALIDE/N,N'-BIDENTATE LIGAND (1:1) DIMETHYL SULFOXIDE SOLVATES

Aaron M. Lee, P. Junk, B. Skelton, 1998 .

Synthetic, Structural and Vibrational Spectroscopic Studies in Bismuth(III) Halide/N,N′-Aromatic Bidentate Base Systems. IV Bismuth(III) Halide/N,N′-Bidentate Ligand (1 : 1) Systems

Aaron M. Lee, P. Junk, B. Skelton, 1998 .

Investigations of the CASE approximation using the optimal partition of the Coulomb operator

Aaron M. Lee, 1998 .

Coulomb energies via Stewart densities

P. Gill, Aaron M. Lee, 1998 .

Computation and analysis of molecular Hartree—Fock momentum intracules

P. Gill, N. Besley, Aaron M. Lee, 2002 .