Harold Basch

发表

Reduced basis set for the gold atom in cluster complexes

Mark A. Ratner, Harold Basch, M. Ratner, 2004, J. Comput. Chem..

Model studies of the structures, reacitivities, and reaction mechanisms of metalloenzymes

Thom Vreven, Dmitry V. Khoroshun, Djamaladdin G. Musaev, 2001, IBM J. Res. Dev..

Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase

Djamaladdin G. Musaev, Keiji Morokuma, Harold Basch, 2002, J. Comput. Chem..

An effective fragment method for modeling solvent effects in quantum mechanical calculations

Mark S. Gordon, P. N. Day, Paul N. Day, 1996 .

Molecular binding at gold transport interfaces. IV. Thiol chemisorption.

Mark A Ratner, Harold Basch, M. Ratner, 2004, The Journal of chemical physics.

Effective Fragment Method for Modeling Intermolecular Hydrogen-Bonding Effects on Quantum Mechanical Calculations

Mark S. Gordon, P. N. Day, Paul N. Day, 1994 .

Electronic states of Al2

Harold Basch, W. J. Stevens, M. Krauss, 1984 .

Theoretical Studies on the Mechanism of the Methane → Methanol Conversion Reaction Catalyzed by Methane Monooxygenase (MMO): The O-Side vs N-Side Mechanisms

Djamaladdin G. Musaev, Keiji Morokuma, Harold Basch, 2001 .

Compact effective potentials and efficient shared‐exponent basis sets for the first‐ and second‐row atoms

Harold Basch, W. J. Stevens, M. Krauss, 1984 .

Hydrogen bonding between aromatics and cationic amino groups

Harold Basch, W. J. Stevens, H. Basch, 1995 .

A Density Functional Study of the Completion of the Methane Monooxygenase Catalytic Cycle. Methanol Complex to MMOH Resting State

Keiji Morokuma, Harold Basch, † and Djamaladdin G. Musaev, 2001 .

Mechanism of the methane → methanol conversion reaction catalyzed by methane monooxygenase: A density functional study

Djamaladdin G. Musaev, Keiji Morokuma, Harold Basch, 1999 .

Relativistic compact effective potentials and efficient, shared-exponent basis sets for the third-, fourth-, and fifth-row atoms

Harold Basch, W. J. Stevens, Paul G. Jasien, 1992 .

The periodic table and the intrinsic barrier in s(n)2 reactions.

Harold Basch, Shmaryahu Hoz, Ren Yi, 2002, The Journal of organic chemistry.