J. D. Augspurger

发表

Helical stability of de novo designed alpha-aminoisobutyric acid-rich peptides at high temperatures.

H. Scheraga, J. D. Augspurger, V. A. Bindra, 1995, Biochemistry.

Magnetic and electrical properties of benzene

J. D. Augspurger, C. E. Dykstra, 1992 .

Electron excitation effects on NMR shieldings in small organic molecules

J. D. Augspurger, C. E. Dykstra, 1995 .

Evolution of polarizabilities and hyperpolarizabilities with molecular aggregation: A model study of acetylene clusters

J. D. Augspurger, C. E. Dykstra, 1992 .

Rotational spectrum and structure of the Ne–HCN dimer

H. S. Gutowsky, T. Germann, J. D. Augspurger, 1993 .

Computing nuclear magnetic resonance chemical shielding in large systems via multipole shielding polarizabilities

E. Oldfield, J. D. Augspurger, C. E. Dykstra, 1993 .

Geometrical dependence of the electrical properties of H+3

J. D. Augspurger, C. E. Dykstra, 1988 .

Weakly bound complexes of carbon monoxide

J. D. Augspurger, C. E. Dykstra, C. Parish, 1992 .

Electromagnetic properties of molecules from a uniform procedure for differentiation of molecular wave functions to high order

J. D. Augspurger, C. E. Dykstra, 1991 .

Correlation of Carbon-13 and Oxygen-17 Chemical Shifts and the Vibrational Frequency of Electrically Perturbed Carbon Monoxide: A Possible Model for Distal Ligand Effects in Carbonmonoxyheme Proteins

E. Oldfield, J. D. Augspurger, C. E. Dykstra, 1991 .

Derivative Hartree-Fock approach to molecular Sternheimer shielding. Calculation of intermolecular influence on nuclear quadrupole coupling

J. D. Augspurger, C. E. Dykstra, 1993 .

A Molecular Model for the Major Conformational Substates in Heme Proteins

E. Oldfield, J. D. Augspurger, C. E. Dykstra, 1991 .

Basis set effects and gauge dependence of magnetic properties. A detailed study of carbon monoxide

J. D. Augspurger, C. E. Dykstra, 1991 .

Ring strain energy in ether‐ and lactone‐containing spiro compounds

J. D. Augspurger, Matthew K. Stedjan, 2015 .

Molecular Optical Rails Based on Aib

J. D. Augspurger, V. A. Bindra, A. Kuki, 1997 .

Calculation and Prediction of Structural Nmr Shifts in Respiratory Proteins

J. D. Augspurger, C. E. Dykstra, 1995 .

Potential surfaces and intermolecular vibrational frequencies of hydrogen chloride complexes

J. D. Augspurger, C. E. Dykstra, 1992 .

Model study of the structures and stabilities of benzene-(H2O)2-12 complexes

J. D. Augspurger, C. E. Dykstra, T. Zwier, 1993 .

Erratum: Geometrical dependence of the electrical properties of H+3 [J. Chem. Phys. 88, 3817 (1988)]

J. D. Augspurger, C. E. Dykstra, 1989 .

Intra- and Intermolecular Electrial Effects on Nuclear Magnetic Resonance, Nuclear Quadrupole Resonance and Infra-Red pectroscopic Parameters from Ab Initio Calculation and Experiment: From CO to Proteins

E. Oldfield, J. D. Augspurger, C. E. Dykstra, 1993 .

Predicting 15N amide chemical shifts in proteins. I. An additive model for the backbone contribution

Nathaniel R. Luman, J. D. Augspurger, Michael P. King, 2001, J. Comput. Chem..

Properties of Molecules by Direct Calculation

J. D. Augspurger, B. Kirtman, C. E. Dykstra, 2007 .

Rotational spectrum and structure of the linear HCN-HCCH dimer

H. S. Gutowsky, T. Germann, J. D. Augspurger, 1991 .

Structure and dynamics of the H2O–HCN dimer

H. S. Gutowsky, T. Germann, J. D. Augspurger, 1992 .

Chemical-shift ranges in proteins

E. Oldfield, J. D. Augspurger, C. E. Dykstra, 1992 .

Isotropic and anisotropic proton chemical shielding surface of water

J. D. Augspurger, C. E. Dykstra, 1993 .

Hydrogen-bond swapping in the benzene-water complex. A model study of the interaction potential

Timothy S. Zwier, Joseph D. Augspurger, Clifford E. Dykstra, 1992 .

An assessment of the accuracy of the RRIGS hydration potential: Comparison to solutions of the Poisson–Boltzmann equation

H. Scheraga, J. D. Augspurger, 1997 .

An efficient, differentiable hydration potential for peptides and proteins

Harold A. Scheraga, Joseph D. Augspurger, H. Scheraga, 1996, J. Comput. Chem..

Concise, open‐ended implementation of Rys polynomial evaluation of two‐Electron integrals

David E. Bernholdt, Joseph D. Augspurger, Clifford E. Dykstra, 1990 .