Authors:
SALZNER U
PICKUP PG
POIRIER RA
LAGOWSKI JB
Citation: U. Salzner et al., ACCURATE METHOD FOR OBTAINING BAND-GAPS IN CONDUCTING POLYMERS USING A DFT HYBRID APPROACH/, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(15), 1998, pp. 2572-2578
Authors:
SALZNER U
LAGOWSKI JB
PICKUP PG
POIRIER RA
Citation: U. Salzner et al., COMPARISON OF GEOMETRIES AND ELECTRONIC-STRUCTURES OF POLYACETYLENE, POLYBOROLE, POLYCYCLOPENTADIENE, POLYPYRROLE, POLYFURAN, POLYSILOLE, POLYPHOSPHOLE, POLYTHIOPHENE, POLYSELENOPHENE AND POLYTELLUROPHENE, Synthetic metals, 96(3), 1998, pp. 177-189
Citation: Cc. Pye et Ra. Poirier, GRAPHICAL APPROACH FOR DEFINING NATURAL INTERNAL COORDINATES, Journal of computational chemistry, 19(5), 1998, pp. 504-511
Citation: Jd. Xidos et al., AN AB-INITIO STUDY OF FACIAL SELECTIVITY IN THE DIELS-ALDER REACTION, Journal of organic chemistry, 63(1), 1998, pp. 105-112
Citation: Yl. Wang et Ra. Poirier, GENERALIZED VALENCE-BOND STUDY OF ROTATIONAL SINGLET STRUCTURES AND PI-BOND-ENERGIES FOR SYSTEMS CONTAINING C=C, SI=SI, AND C=SI DOUBLE BONDS, Canadian journal of chemistry, 76(4), 1998, pp. 477-482
Citation: Yl. Wang et Ra. Poirier, FACTORS THAT INFLUENCE THE C=N STRETCHING FREQUENCY IN IMINES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(5), 1997, pp. 907-912
Citation: Cc. Pye et al., EXAMINATION OF THE VALENCE TAUTOMERS BENZENE OXIDE AND OXEPIN AND 2 DERIVATIVE SYSTEMS BY AB-INITIO METHODS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(18), 1997, pp. 3371-3376
Authors:
SALZNER U
LAGOWSKI JB
PICKUP PG
POIRIER RA
Citation: U. Salzner et al., DESIGN OF LOW-BAND-GAP POLYMERS EMPLOYING DENSITY-FUNCTIONAL THEORY -HYBRID FUNCTIONALS AMELIORATE BAND-GAP PROBLEM, Journal of computational chemistry, 18(15), 1997, pp. 1943-1953
Citation: Yl. Wang et Ra. Poirier, COMPUTATIONAL DEVELOPMENTS IN GENERALIZED VALENCE-BOND CALCULATIONS, Journal of computational chemistry, 17(3), 1996, pp. 313-325
Citation: Yl. Wang et Ra. Poirier, GENERALIZED VALENCE-BOND MOLECULAR EQUILIBRIUM GEOMETRIES, Journal of molecular structure. Theochem, 340, 1995, pp. 1-14
Citation: Ra. Poirier et al., ORIGIN OF FACIAL SELECTIVITY IN THE DIELS-ALDER REACTIONS OF 5-SUBSTITUTED 1,3-CYCLOPENTADIENES, Journal of organic chemistry, 60(8), 1995, pp. 2328-2329
Citation: Cc. Pye et al., AB-INITIO HARTREE-FOCK CALCULATIONS OF THE INTERACTION ENERGY OF BIOMOLECULAR COMPLEXES, Journal of molecular structure. Theochem, 113, 1994, pp. 239-259
Citation: Gr. Demare et al., AB-INITIO STUDY OF C-H BOND BREAKING IN OLEFINS .2. GVB COMPUTATIONS ON PROPENE[--]H PLUS CIS-PROPEN-1-YL OR TRANS-PROPEN-1-YL, Canadian journal of chemistry, 72(5), 1994, pp. 1230-1237
Citation: Yl. Wang et Ra. Poirier, AB-INITIO STUDY ON THE THERMAL DECARBOXYLATION OF BUT-3-ENOIC ACID AND ITS DERIVATIVES, Canadian journal of chemistry, 72(5), 1994, pp. 1338-1346
Citation: Ra. Poirier et al., A THEORETICAL-STUDY OF THE RELATIONSHIP BETWEEN SECONDARY ALPHA-DEUTERIUM KINETIC ISOTOPE EFFECTS AND THE STRUCTURE OF S(N)2 TRANSITION-STATES, Journal of the American Chemical Society, 116(6), 1994, pp. 2526-2533