Ab initio calculation of resonance energies. Benzene and cyclobutadieneHESS, B. A. JR; SCHAAD, L. J.Journal of the American Chemical Society. 1983, Vol 105, Num 26, pp 7500-7505, issn 0002-7863Article

Perturbing influence of doubly excited configurations upon the electric-dipole transition amplitudes of rare-earth ions in crystalsSMENTEK-MIELCZAREK, L; HESS, B. A. JR.Physical review. B, Condensed matter. 1989, Vol 39, Num 1, pp 517-522, issn 0163-1829Article

Third order ab initio calculations of the f↔f transition amplitudes for ions across the lanthanide seriesSMENTEK-MIELCZAREK, L; HESS, B. A. JR.The Journal of chemical physics. 1988, Vol 89, Num 2, pp 703-710, issn 0021-9606Article

Third-order electron-correlation and crystal-field contributions to the amplitudes of two-photon absorption in f^N systemsSMENTEK-MIELCZAREK, L; HESS, B. A. JR.Physical review. B, Condensed matter. 1987, Vol 36, Num 4, pp 1811-1817, issn 0163-1829Article

The stability of footballeneHESS, B. A. JR; SCHAAD, L. J.Journal of organic chemistry. 1986, Vol 51, Num 20, pp 3902-3903, issn 0022-3263Article

The theoretical structure of tricyclo[3.1.0.0^2,6]hex-1(6)-ene and the potential isolation of bicyclo[1.1.0]but-1(3)-eneHESS, B. A. JR; MICHALSKA, D; SCHAAD, L. J et al.Journal of the American Chemical Society. 1987, Vol 109, Num 24, pp 7546-7547, issn 0002-7863Article

An ab initio study of the cyclobutadiene dianon and dicationHESS, B. A. JR; EWIG, C. S; SCHAAD, L. J et al.Journal of organic chemistry. 1985, Vol 50, Num 26, pp 5869-5871, issn 0022-3263Article

Ab initio study of the structures and vibrational spectra of the Hückel 4n heterocycles azirene, oxirene, and thiireneCARSKY, P; HESS, B. A. JR; SCHAAD, L. J et al.Journal of the American Chemical Society. 1983, Vol 105, Num 3, pp 396-402, issn 0002-7863Article

Location of the transition structure for a concerted pathway in the methylenecyclopropane rearrangementSKANCKE, A; SCHAAD, L. J; HESS, B. A. JR et al.Journal of the American Chemical Society. 1988, Vol 110, Num 16, pp 5315-5316, issn 0002-7863Article

Vibrational spectra of epoxypropanePOLAVARAPU, P. L; HESS, B. A. JR; SCHAAD, L. J et al.The Journal of chemical physics. 1985, Vol 82, Num 4, pp 1705-1710, issn 0021-9606Article

Ab initio theoretical frequencies and intensities in the interpretation of infrared spectraHESS, B. A. JR; SCHAAD, L. J; POLAVARAPU, P. L et al.Journal of the American Chemical Society. 1984, Vol 106, Num 16, pp 4348-4352, issn 0002-7863Article

Ab initio study of the infrared spectrum of methylenecyclopropeneHESS, B. A. JR; MICHALSKA, D; SCHAAD, L. J et al.Journal of the American Chemical Society. 1985, Vol 107, Num 5, pp 1449-1450, issn 0002-7863Article

Use of molecular symmetry in two-electron integral transformation: an MP2 program compatible with HONDO 5CARSKY, P; HESS, B. A. JR; SCHAAD, L. J et al.Journal of computational chemistry. 1984, Vol 5, Num 3, pp 280-287, issn 0192-8651Article

The dipole moment derivatives and charge flux parameters from vibrational absorption intensities of ethylene oxidePOLAVARAPU, P. L; HESS, B. A. JR; SCHAAD, L. J et al.Journal of molecular spectroscopy (Print). 1985, Vol 109, Num 1, pp 22-29, issn 0022-2852Article

Theoretical studies of [1,n]-sigmatropic rearrangements involving hydrogen transfer in simple methyl-substituted conjugated polyenesHESS, B. A. JR; SCHAAD, L. J; PANCIR, J et al.Journal of the American Chemical Society. 1985, Vol 107, Num 1, pp 149-154, issn 0002-7863Article

Use of molecular symmetry in coupled-cluster theoryCARSKY, P; SCHAAD, L. J; HESS, B. A. JR et al.The Journal of chemical physics. 1987, Vol 87, Num 1, pp 411-415, issn 0021-9606Article

An efficient UMP2 programCARSKY, P; FABIAN, J; HESS, B. A. JR et al.Journal of computational chemistry. 1985, Vol 6, Num 5, pp 429-431, issn 0192-8651Article

Proof of a conjecture by Dacre on the symmetry of two-electron integralsSCHAAD, L. J; WILSON, D. J; HESS, B. A. JR et al.Chemical physics letters. 1984, Vol 105, Num 4, pp 433-434, issn 0009-2614Article

Diastereopically distinct secondary deuterium kinetic isotope effects on the thermal isomerization of cis-hexatriene to 1,3-cyclohexadieneBALDWIN, J. E; PRAKASH REDDY, V; HESS, B. A. JR et al.Journal of the American Chemical Society. 1988, Vol 110, Num 25, pp 8554-8555, issn 0002-7863Article

An efficient UMP2 programCARSKY, P; FABIAN, J; HESS, B. A. JR et al.Journal of computational chemistry. 1985, Vol 6, Num 5, pp 429-431, issn 0192-8651Article

The calculation of infrared intensitiesSCHAAD, L. J; EWIG, C. S; HESS, B. A. JR et al.The Journal of chemical physics. 1985, Vol 83, Num 10, pp 5348-5349, issn 0021-9606Article

Diastereotopically distinct secondary deuterium kinetic isotope effects on the thermal isomerization of cyclobutene to butadieneBALDWIN, J. E; PRAKASH REDDY, V; SCHAAD, L. J et al.Journal of the American Chemical Society. 1988, Vol 110, Num 25, pp 8555-8556, issn 0002-7863Article

Ab initio studies on the ground-state potential surface and vibrational spectra of NSF and SNFSCHAAD, L. J; HESS, B. A. JR; CARSKY, P et al.Inorganic chemistry (Print). 1984, Vol 23, Num 16, pp 2428-2430, issn 0020-1669Article

Photoisomerisierung von Tetrachlormethan in einer Argon-Matrix = Photoisomérisation du tétrachlorométhane dans une matrice d'argon = Photoisomerisation of tetrachloromethane in an argon matrixMAIER, G; REISENAUER, H. P; HU, J et al.Tetrahedron letters. 1989, Vol 30, Num 31, pp 4105-4108, issn 0040-4039Article

Vibrational spectra of methylthiiranePOLAVARAPU, P. L; HESS, B. A. JR; SCHAAD, L. J et al.The Journal of chemical physics. 1987, Vol 86, Num 3, pp 1140-1146, issn 0021-9606Article