Authors:
SOSCUN H
HERNANDEZ J
CASTELLANO O
DIAZ G
HINCHLIFFE A
Citation: H. Soscun et al., AB-INITIO SCF-MO STUDY OF THE TOPOLOGY OF THE CHARGE-DISTRIBUTION OF ACID SITES OF ZEOLITES, International journal of quantum chemistry, 70(4-5), 1998, pp. 951-960
Citation: Hj. Soscun et al., AN AB-INITIO STUDY OF THE MOLECULAR-COMPLEXES FORMED BETWEEN H2S AND THE ACID SITES OF ZEOLITES, Journal of molecular structure. Theochem, 341, 1995, pp. 237-251
Citation: Hjs. Machado et A. Hinchliffe, RELATIONSHIPS BETWEEN THE HOMO ENERGIES AND PKA VALUES IN MONOCYCLIC AND BICYCLIC AZINES, Journal of molecular structure. Theochem, 339, 1995, pp. 255-258
Citation: A. Hinchliffe et Hjs. Machado, AB-INITIO STUDIES OF THE DIPOLE POLARIZABILITIES OF CONJUGATED MOLECULES .6. THE GEOMETRY, STATIC DIPOLE POLARIZABILITY AND FIRST HYPERPOLARIZABILITY OF BENZOTHIOPHENE, Journal of molecular structure. Theochem, 334(2-3), 1995, pp. 235-242
Citation: A. Hinchliffe et Hj. Soscun, AB-INITIO STUDIES OF THE DIPOLE POLARIZABILITIES OF CONJUGATED MOLECULES .5. THE 5-MEMBERED HETEROCYCLICS C(4)H(4)E (E=BH, ALH, CH2, SIH2, NH, PH, O AND S), Journal of molecular structure. Theochem, 331(1-2), 1995, pp. 109-125
Citation: A. Hinchliffe et Hjs. Machado, AB-INITIO STUDIES OF THE DIPOLE POLARIZABILITIES OF CONJUGATED MOLECULES .4. THE DIPOLE POLARIZABILITY AND 1ST HYPERPOLARIZABILITY OF O-BENZYNE AND RELATED MOLECULES, Journal of molecular structure. Theochem, 119(2), 1994, pp. 265-273
Citation: A. Hinchliffe et Hjs. Machado, AB-INITIO STUDIES OF THE DIPOLE POLARIZABILITIES OF CONJUGATED MOLECULES .3. ONE-ELECTRON PROPERTIES, DIPOLE POLARIZABILITY AND FIRST HYPERPOLARIZABILITY OF QUINOLINE AND ISOQUINOLINE, Journal of molecular structure. Theochem, 118(1), 1994, pp. 57-67
Citation: Hj. Soscun et al., AB-INITIO STUDY OF THE MOLECULAR ELECTROSTATIC POTENTIAL OF MONOCYCLIC AND BICYCLIC AZINES, Journal of molecular structure. Theochem, 113, 1994, pp. 1-8
Citation: A. Hinchliffe et Hj. Soscun, AB-INITIO STUDIES OF THE DIPOLE POLARIZABILITIES OF CONJUGATED MOLECULES .2. MONOCYCLIC AZINES, Journal of molecular structure. Theochem, 110(2), 1994, pp. 109-120
Citation: F. Uhlik et al., COMPUTATIONAL STUDIES ATMOSPHERIC CHEMISTRY .19. A COMPUTATIONAL EVALUATION OF THE OZONE DIMER ALTITUDE PROFILE, Thermochimica acta, 232(1), 1994, pp. 1-6
Authors:
SLANINA Z
UHLIK F
DEALMEIDA WB
HINCHLIFFE A
Citation: Z. Slanina et al., COMPUTATIONAL STUDIES OF ATMOSPHERIC CHEMISTRY SPECIES .16. A COMPUTATIONAL THERMODYNAMIC EVALUATION OF THE ALTITUDE PROFILES OF (N2)2, N2-O2 AND (O2)2 IN THE EARTHS ATMOSPHERE, Thermochimica acta, 231, 1994, pp. 55-60
Citation: Z. Slanina et al., COMPUTATIONAL STUDIES OF ATMOSPHERIC CHEMISTRY SPECIES .22. A COMPUTATIONAL STUDY OF CLONO2H- STRUCTURE AND VIBRATIONS( ), Spectroscopy letters, 27(4), 1994, pp. 563-571
Authors:
BARKER DA
SOSCUN H
HINCHLIFFE A
DEALMEIDA WB
Citation: Da. Barker et al., ABINITIO MO STUDY OF THE POTENTIAL-ENERGY SURFACE OF THE N2...CLF BINARY COMPLEX, Journal of molecular structure. Theochem, 99(2-3), 1993, pp. 239-252
Citation: F. Uhlik et al., COMPUTATIONAL STUDIES OF ATMOSPHERIC CHEMISTRY SPECIES .13. AN AB-INITIO CORRELATED STUDY OF STRUCTURE, ENERGETICS AND VIBRATIONS OF (O2)2(ALPHA), Journal of molecular structure. Theochem, 104(3), 1993, pp. 273-276
Authors:
DEALMEIDA WB
BARKER DA
HINCHLIFFE A
CRAW JS
Citation: Wb. Dealmeida et al., AB-INITIO MOLECULAR-ORBITAL STUDY OF CLF, HF BINARY COMPLEXES, Journal of molecular structure. Theochem, 104(3), 1993, pp. 277-279