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Results: 1-21 |
Results: 21
AN AB-INITIO ANALYSIS OF THE ELECTRONIC-STRUCTURE AND HARMONIC FREQUENCIES OF NICKEL PORPHYRIN
Authors: PIQUERAS MC ROHLFING CM
Citation: Mc. Piqueras et Cm. Rohlfing, AN AB-INITIO ANALYSIS OF THE ELECTRONIC-STRUCTURE AND HARMONIC FREQUENCIES OF NICKEL PORPHYRIN, Theoretical chemistry accounts, 97(1-4), 1997, pp. 81-87
THEORETICAL DETERMINATION OF THE MOLECULAR AND SOLID-STATE ELECTRONIC-STRUCTURES OF PHTHALOCYANINE AND LARGELY EXTENDED PHTHALOCYANINE MACROCYCLES
Authors: ORTI E CRESPO R PIQUERAS MC TOMAS F
Citation: E. Orti et al., THEORETICAL DETERMINATION OF THE MOLECULAR AND SOLID-STATE ELECTRONIC-STRUCTURES OF PHTHALOCYANINE AND LARGELY EXTENDED PHTHALOCYANINE MACROCYCLES, Journal of materials chemistry, 6(11), 1996, pp. 1751-1761
AB-INITIO INVESTIGATION OF ICOSAHEDRAL SI-60
Authors: CRESPO R PIQUERAS MC TOMAS F
Citation: R. Crespo et al., AB-INITIO INVESTIGATION OF ICOSAHEDRAL SI-60, Synthetic metals, 77(1-3), 1996, pp. 13-15
ELECTRONIC-STRUCTURE OF POLY(P-(DISILANYLENE) PHENYLENE)
Authors: CRESPO R PIQUERAS MC TOMAS F
Citation: R. Crespo et al., ELECTRONIC-STRUCTURE OF POLY(P-(DISILANYLENE) PHENYLENE), Synthetic metals, 76(1-3), 1996, pp. 323-326
PHOTOELECTRON-SPECTRUM OF POLY(METHYL-N-PROPYLSILANE) - A VALENCE-BAND THEORETICAL INTERPRETATION
Authors: CRESPO R TOMAS F PIQUERAS MC
Citation: R. Crespo et al., PHOTOELECTRON-SPECTRUM OF POLY(METHYL-N-PROPYLSILANE) - A VALENCE-BAND THEORETICAL INTERPRETATION, Journal of molecular structure. Theochem, 388, 1996, pp. 285-292
HARTREE-FOCK SYMMETRY-BREAKING IN MAGNESIUM AND NICKEL PORPHYRINS
Authors: PIQUERAS MC ROHLFING CM
Citation: Mc. Piqueras et Cm. Rohlfing, HARTREE-FOCK SYMMETRY-BREAKING IN MAGNESIUM AND NICKEL PORPHYRINS, Journal of molecular structure. Theochem, 388, 1996, pp. 293-297
AB-INITIO STUDY OF THE INTERNAL-ROTATION POTENTIAL OF P-DISILANYLBENZENE AND P-(1,1',2,2'-TETRAMETHYLDISILANYL)BENZENE
Authors: CRESPO R TOMAS F PIQUERAS MC ALMLOF J
Citation: R. Crespo et al., AB-INITIO STUDY OF THE INTERNAL-ROTATION POTENTIAL OF P-DISILANYLBENZENE AND P-(1,1',2,2'-TETRAMETHYLDISILANYL)BENZENE, Journal of molecular structure. Theochem, 371, 1996, pp. 97-105
ELECTRONIC-STRUCTURE AND BONDING IN SI-70
Authors: PIQUERAS MC CRESPO R TOMAS F
Citation: Mc. Piqueras et al., ELECTRONIC-STRUCTURE AND BONDING IN SI-70, Journal of molecular structure. Theochem, 330, 1995, pp. 177-180
MODULATION OF THE ELECTRONIC-PROPERTIES OF CONJUGATED POLYMERS THROUGH DESIGN OF POLYMER BACKBONE
Authors: PIQUERAS MC CRESPO R TOMAS F
Citation: Mc. Piqueras et al., MODULATION OF THE ELECTRONIC-PROPERTIES OF CONJUGATED POLYMERS THROUGH DESIGN OF POLYMER BACKBONE, Journal of molecular structure. Theochem, 330, 1995, pp. 181-185
THEORETICAL-STUDY OF THE EFFECT OF SUBSTITUENT AND BACKBONE CONFORMATION ON THE ELECTRONIC-PROPERTIES OF SYMMETRICALLY SUBSTITUTED POLY(DI-N-ALKYLSILANES)
Authors: CRESPO R PIQUERAS MC TOMAS F
Citation: R. Crespo et al., THEORETICAL-STUDY OF THE EFFECT OF SUBSTITUENT AND BACKBONE CONFORMATION ON THE ELECTRONIC-PROPERTIES OF SYMMETRICALLY SUBSTITUTED POLY(DI-N-ALKYLSILANES), The Journal of chemical physics, 100(9), 1994, pp. 6953-6960
INFLUENCE OF STRUCTURAL ISOMERISM ON THE ELECTRONIC-PROPERTIES OF EXTENDED PHTHALOCYANINES
Authors: ORTI E PIQUERAS MC CRESPO R TOMAS F
Citation: E. Orti et al., INFLUENCE OF STRUCTURAL ISOMERISM ON THE ELECTRONIC-PROPERTIES OF EXTENDED PHTHALOCYANINES, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 234, 1993, pp. 241-246
STRUCTURAL AND ELECTRONIC-PROPERTIES OF OLIGOMERIC HETEROARYLENE VINYLENES - A THEORETICAL APPROACH
Authors: PIQUERAS MC CRESPO R ORTI E TOMAS F
Citation: Mc. Piqueras et al., STRUCTURAL AND ELECTRONIC-PROPERTIES OF OLIGOMERIC HETEROARYLENE VINYLENES - A THEORETICAL APPROACH, Molecular crystals and liquid crystals science and technology. Section A, Molecular crystals and liquid crystals, 234, 1993, pp. 759-764
VEH ELECTRONIC BAND-STRUCTURE OF POLY(PHENYLSILANE)
Authors: CRESPO R PIQUERAS MC ORTI E TOMAS F
Citation: R. Crespo et al., VEH ELECTRONIC BAND-STRUCTURE OF POLY(PHENYLSILANE), Synthetic metals, 61(1-2), 1993, pp. 107-111
EVOLUTION OF THE ELECTRONIC-PROPERTIES OF GRADED POLY(THIENYLENE VINYLENE)-POLY(PYRRYLENE VINYLENE) MIXED COPOLYMERS
Authors: PIQUERAS MC CRESPO R ORTI E TOMAS F
Citation: Mc. Piqueras et al., EVOLUTION OF THE ELECTRONIC-PROPERTIES OF GRADED POLY(THIENYLENE VINYLENE)-POLY(PYRRYLENE VINYLENE) MIXED COPOLYMERS, Synthetic metals, 61(1-2), 1993, pp. 151-154
VEH ELECTRONIC-STRUCTURE OF SI-60
Authors: PIQUERAS MC CRESPO R ORTI E TOMAS F
Citation: Mc. Piqueras et al., VEH ELECTRONIC-STRUCTURE OF SI-60, Synthetic metals, 61(1-2), 1993, pp. 155-158
ELECTRONIC-STRUCTURE OF POLYSILANES - INFLUENCE OF SUBSTITUTION AND CONFORMATION
Authors: ORTI E CRESPO R PIQUERAS MC TOMAS F BREDAS JL
Citation: E. Orti et al., ELECTRONIC-STRUCTURE OF POLYSILANES - INFLUENCE OF SUBSTITUTION AND CONFORMATION, Synthetic metals, 57(2-3), 1993, pp. 4419-4424
THEORETICAL-STUDY ON THE EFFECT OF BACKBONE CONFORMATION ON THE ELECTRONIC-STRUCTURE OF POLY(DI-N-BUTYLSILANE)
Authors: CRESPO R PIQUERAS MC ORTI E TOMAS F
Citation: R. Crespo et al., THEORETICAL-STUDY ON THE EFFECT OF BACKBONE CONFORMATION ON THE ELECTRONIC-STRUCTURE OF POLY(DI-N-BUTYLSILANE), Synthetic metals, 57(2-3), 1993, pp. 4425-4430
THEORETICAL CALCULATIONS ON THE VALENCE ELECTRONIC-STRUCTURE OF NAPHTHALOCYANINE - COMPARISON WITH EXPERIMENTAL PHOTOEMISSION DATA
Authors: ORTI E CRESPO R PIQUERAS MC VIRUELA PM TOMAS F
Citation: E. Orti et al., THEORETICAL CALCULATIONS ON THE VALENCE ELECTRONIC-STRUCTURE OF NAPHTHALOCYANINE - COMPARISON WITH EXPERIMENTAL PHOTOEMISSION DATA, Synthetic metals, 57(2-3), 1993, pp. 4513-4518
THEORETICAL CHARACTERIZATION OF THE ELECTRONIC-PROPERTIES OF UNSYMMETRICAL PHTHALOCYANINE ANALOGS
Authors: ORTI E PIQUERAS MC CRESPO R TOMAS F
Citation: E. Orti et al., THEORETICAL CHARACTERIZATION OF THE ELECTRONIC-PROPERTIES OF UNSYMMETRICAL PHTHALOCYANINE ANALOGS, Synthetic metals, 57(2-3), 1993, pp. 4519-4524
THEORETICAL SEARCH FOR LOW-BAND-GAP VINYLENE LINKED POLYMERS - HETEROARYLENE VINYLENE COPOLYMERS
Authors: PIQUERAS MC CRESPO R ORTI E TOMAS F
Citation: Mc. Piqueras et al., THEORETICAL SEARCH FOR LOW-BAND-GAP VINYLENE LINKED POLYMERS - HETEROARYLENE VINYLENE COPOLYMERS, Synthetic metals, 57(2-3), 1993, pp. 4565-4571
AM1 PREDICTION OF THE EQUILIBRIUM GEOMETRY OF SI60
Authors: PIQUERAS MC CRESPO R ORTI E TOMAS F
Citation: Mc. Piqueras et al., AM1 PREDICTION OF THE EQUILIBRIUM GEOMETRY OF SI60, Chemical physics letters, 213(5-6), 1993, pp. 509-513
Risultati: 1-21 |