Applications of theoretical chemistry to organic, inorganic and biological problems: special issue theoretical chemistry 1983: proceedings/XIVth Congress of theoretical chemists of latin expression, Louvain-La-Neuve, 30 May-2 June 1983LEROY, G; ORVILLE-THOMAS, W. J.Journal of molecular structure. 1984, Vol 107, issn 0022-2860, IX-281 pConference Proceedings

Interpretation and prediction of vibrational intensities in infrared spectra: fluorinated methanesGALABOV, B; DUDEV, T; ORVILLE-THOMAS, W. J et al.Journal of molecular structure. 1986, Vol 145, Num 1-2, pp 1-13, issn 0022-2860Conference Paper

18th International congress of theoretical chemists of latin expression: [selected papers], La Plata, Argentina, 23-28 September 1989SMEYERS, Yves G; CASTRO, Eduardo A; ORVILLE-THOMAS, W. J et al.Journal of molecular structure. Theochem. 1990, Vol 210, issn 0166-1280, 493 p.Conference Proceedings

Applications of theoretical chemistry to organic, inorganic and biological problems. II: Mechanism of drug actionNARAY-SZABO, G; CSIZMADIA, I. G; ORVILLE-THOMAS, W. J et al.Journal of molecular structure. 1986, Vol 134, Num 3-4, pp 299-439, issn 0022-2860Serial Issue

Predicted infrared intensities of diacetylene and 1,3-pentadiyneGALABOV, B; DUDEV, T; NIKOLOVA, B et al.Journal of molecular spectroscopy (Print). 1986, Vol 120, Num 2, pp 276-283, issn 0022-2852Article

Stretching force constants of the H₃N...LiF lithium bonded and H₃N...HF hydrogen-bonded complexes: comparison study at the SCF levelLATAJKA, Z; MOROKUMA, K; RATAJCZAK, H et al.Journal of molecular structure. 1986, Vol 135, pp 429-434, issn 0022-2860Article

Infrared intensities. An MO study of the transferability of bond polar parametersGALABOV, B; DUDEV, T; LOZANOVA, C et al.Journal of molecular structure. 1985, Vol 129, Num 1-2, pp 27-33, issn 0022-2860Article

Theoretical chemistry 1990, Rome, Italy, 10-14 September 1990SMEYERS, Yves G; CIGNITTI, Maurizio; ORVILLE-THOMAS, W. J et al.Journal of molecular structure. Theochem. 1992, Vol 254, issn 0166-1280Conference Proceedings

Quantum chemistry ― Electronic structure of matterCALAIS, Jean-Louis; ORVILLE-THOMAS, W. J; MAKSIC, Z. B et al.Journal of molecular structure. Theochem. 1989, Vol 199, pp IX-348, issn 0166-1280, p. [357 p.]Serial Issue

Study of correlation effects on stretching force constants of the H₃N•••LiF lithium-bonded and H₃N•••HF hydrogen-bonded complexesLATAJKA, Z; RATAJCZAK, H; MOROKUMA, K et al.Journal of molecular structure. 1986, Vol 146, pp 263-266, issn 0022-2860Article

Ab initio calculations of isotropic hyperfine coupling constants in β-ketoenolyl radicalsFORTUNELLI, A; SALVETTI, O.Journal of molecular structure. Theochem. 1993, Vol 287, pp 89-92, issn 0166-1280Conference Paper

Dimensional scaling of local pseudopotentialsGOSCINSKI, O; HÄGG, L.Journal of molecular structure. Theochem. 1993, Vol 287, pp 17-21, issn 0166-1280Conference Paper

The σ-bond oxidative addition from the perspective of the localized reactant configuration approachRINCON, L; BOVES, M.Journal of molecular structure. Theochem. 1993, Vol 287, pp 211-215, issn 0166-1280Conference Paper

Memory superoperator representation of projected one-particle causal propagatorsBOCHICCHIO, R. C; GRINBERG, H.Journal of molecular structure. Theochem. 1992, Vol 254, pp 71-76, issn 0166-1280Conference Paper

Structure of excited states and properties and organic dyesKLESINGER, M.Journal of molecular structure. 1992, Vol 266, pp 53-58, issn 0022-2860Conference Paper

Studies in molecular liquids : [selected papers], Dresden, GDR, 3-8 September 1989BARNES, A. J; ORVILLE-THOMAS, W. J; SCHAARSCHMIDT, K et al.Journal of molecular liquids. 1990, Vol 45, Num 1-2, issn 0167-7322, 143 p.Conference Proceedings

Molecular spectroscopy and molecular structure 1989. B. Contributed papers, Dresden, G.D.R., 3-8 September 1989BARNES, A. J; ORVILLE-THOMAS, W. J; SCHAARSCHMIDT, K et al.Journal of molecular structure. 1990, Vol 218, issn 0022-2860, 471 p.Conference Proceedings

Proceedings/NATO advanced study institute on seasonal snowcovers physics, chemistry, hydrology, Les Arcs, FRA, July 13-25, 1986JONES, H. G; ORVILLE-THOMAS, W. J.NATO ASI series. Series C, Mathematical and physical sciences. 1987, Vol 211, XII-746 pConference Proceedings

Nuclear quadrupole resonance spectroscopy. Proceedings of the 7th. international symposium, Kingston, Canada, 11-14 July 1983BROWN, R. J. C; WHITEHEAD, M. A; ORVILLE-THOMAS, W. J et al.Journal of molecular structure. 1983, Vol 111, issn 0022-2860, XIV-432 pConference Proceedings

Atomic softness and the electric dipole polarizabilityFUENTEALBA, P; REYES, O.Journal of molecular structure. Theochem. 1993, Vol 282, Num 1-2, pp 65-70, issn 0166-1280Article

Laser-enhanced Lyα emission from H⁺Li(2p_m) collisionsSALAS, P; WAHNON, P.Journal of molecular structure. Theochem. 1993, Vol 287, pp 249-252, issn 0166-1280Conference Paper

Theoretical study in vacuo of the first step of the reversible aldol cleavage catalyzed by aldolase from rabbit muscleALAGONA, G; GHIO, C.Journal of molecular structure. Theochem. 1993, Vol 287, pp 253-259, issn 0166-1280Conference Paper

Molecular spectroscopy and molecular structure 1991. IIBARNES, A. J; ORVILLE-THOMAS, W. J; MAKSIC, Z. B et al.Journal of molecular structure. 1992, Vol 267, issn 0022-2860, 358 p.Conference Proceedings

High resolution NMR using selective excitationFREEMAN, R.Journal of molecular structure. 1992, Vol 266, pp 39-51, issn 0022-2860Conference Paper

Semi-empirical model potentials for the interaction between two O₂ ground state moleculesBUSSERY, B; AUBERT-FRECON, M.Journal of molecular structure. Theochem. 1992, Vol 254, pp 307-314, issn 0166-1280Conference Paper