Derivation of class II force fields. I. Methodology and quantum force field for the alkyl functional group and alkane molecules von Maple, J. R., Hwang, M.-J., Stockfisch, T. P., Dinur, U., Waldman, M., Ewig, C. S., Hagler, A. T.

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Derivation of class II force fields. VI. Carbohydrate compounds and anomeric effects von Hwang, M.-J., Ni, X., Waldman, M., Ewig, C. S., Hagler, A. T.

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Ab Initio computed molecular structures and energies of the conformers of glucose von Polavarapu, P.L., Ewig, C.S.

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An ab initio procedure for deriving atomic polarizability tensors in molecules von Maple, Jon R., Ewig, Carl S.

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Conformations of tartaric acid and its esters von Polavarapu, P. L, Ewig, C. S, Chandramouly, T

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Solution-Phase Conformations of N-Acetyl-N‘-methyl-l-alaninamide from Vibrational Raman Optical Activity von Deng, Z, Polavarapu, P. L, Ford, S. J, Hecht, L, Barron, L. D, Ewig, C. S, Jalkanen, K

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On the use of quantum energy surfaces in the derivation of molecular force fields von Hagler, A.T., Ewig, C.S.

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The structure and energetics of glycine polymorphs based on first principles simulation using density functional theory von Freeman, C. M., Andzelm, J. W., Ewig, C. S., Hill, J.-R., Delley, B.

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The desorption of excited atoms by photon bombardment of alkali halide crystals von Liu, D., Albridge, R.G., Barnes, A.V., Bunton, P.H., Ewig, C.S., Tolk, N.H., Szymonski, M.

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The calculation of infrared intensities von SCHAAD, L. J, EWIG, C. S, HESS, B. A. JR, MICHALSKA, D

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Experimental and ab initio vibrational spectra of 1,2-dibromoethane, meso-1,2-dideuterio-1,2-dibromoethane, and chiral 1,2-dideuterio-1,2-dibromoethane von Bose, P. K, Henderson, D. O, Ewig, C. S, Polavarapu, P. L

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An ab initio study of the cyclobutadiene dianion and dication von Hess, B. A., Ewig, C. S., Schaad, L. J.

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Theoretical study of the core binding energies of ozone and oxygen difluoride von Ewig, C. S, Mathews, R. D, Banna, M. S

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Theory of multicenter partitioning of molecular energies von EWIG, C. S

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Derivation of Class II Force Fields. 4. van der Waals Parameters of Alkali Metal Cations and Halide Anions von Peng, Zhengwei, Ewig, Carl S, Hwang, Ming-Jing, Waldman, Marvin, Hagler, Arnold T

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Basis set effects and the choice of reference geometry in ab initio calculations of vibrational spectra von Michalska, D., Schaad, L. J., C̆arsky, P., Andes Hess Jr, B., Ewig, C. S.

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Derivation of class II force fields. VIII. Derivation of a general quantum mechanical force field for organic compounds von Ewig, Carl S., Berry, Rajiv, Dinur, Uri, Hill, Jörg-Rüdiger, Hwang, Ming-Jing, Li, Haiying, Liang, Chris, Maple, Jon, Peng, Zhengwei, Stockfisch, Thomas P., Thacher, Thomas S., Yan, Lisa, Ni, Xiangshan, Hagler, Arnold T.

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Ab Initio Atomic Polarizability Tensors for Organic Molecules von Ewig, Carl S, Waldman, Marvin, Maple, Jon R

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Ab Initio Embedded Cluster Study of F and M Centers in LiF von Kölmel, Christoph, Ewig, Carl S

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Derivation of Class II Force Fields. 7. Nonbonded Force Field Parameters for Organic Compounds von Ewig, Carl S, Thacher, Thomas S, Hagler, Arnold T

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