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Results: 1-24 |
Results: 24
NEW 1,3-DITHIOL-2-YLIDENE DONOR-PI-ACCEPTOR CHROMOPHORES WITH INTRAMOLECULAR CHARGE-TRANSFER PROPERTIES, AND RELATED DONOR-PI-DONOR MOLECULES - SYNTHESIS, ELECTROCHEMISTRY, X-RAY CRYSTAL-STRUCTURES, NONLINEAR-OPTICAL PROPERTIES AND THEORETICAL CALCULATIONS
Authors: MOORE AJ BRYCE MR BATSANOV AS GREEN A HOWARD JAK MCKERVEY MA MCGUIGAN P LEDOUX I ORTI E VIRUELA R VIRUELA PM TARBIT B
Citation: Aj. Moore et al., NEW 1,3-DITHIOL-2-YLIDENE DONOR-PI-ACCEPTOR CHROMOPHORES WITH INTRAMOLECULAR CHARGE-TRANSFER PROPERTIES, AND RELATED DONOR-PI-DONOR MOLECULES - SYNTHESIS, ELECTROCHEMISTRY, X-RAY CRYSTAL-STRUCTURES, NONLINEAR-OPTICAL PROPERTIES AND THEORETICAL CALCULATIONS, Journal of materials chemistry, 8(5), 1998, pp. 1173-1184
BENZOANNULATED QUINONE-TYPE ELECTRON-ACCEPTORS - EVOLUTION OF THE MOLECULAR AND ELECTRONIC-STRUCTURES UPON REDUCTION
Authors: VIRUELA R VIRUELA PM ORTI E
Citation: R. Viruela et al., BENZOANNULATED QUINONE-TYPE ELECTRON-ACCEPTORS - EVOLUTION OF THE MOLECULAR AND ELECTRONIC-STRUCTURES UPON REDUCTION, Journal of molecular structure. Theochem, 426, 1998, pp. 135-143
SYNTHESIS, PROPERTIES, AND THEORETICAL CHARACTERIZATION OF LARGELY PI-EXTENDED TETRATHIAFULVALENE DERIVATIVES WITH QUINONOID STRUCTURES
Authors: MARTIN N SANCHEZ L SEOANE C ORTI E VIRUELA PM VIRUELA R
Citation: N. Martin et al., SYNTHESIS, PROPERTIES, AND THEORETICAL CHARACTERIZATION OF LARGELY PI-EXTENDED TETRATHIAFULVALENE DERIVATIVES WITH QUINONOID STRUCTURES, Journal of organic chemistry, 63(4), 1998, pp. 1268-1279
DIFFICULTIES OF DENSITY-FUNCTIONAL THEORY IN PREDICTING THE TORSIONALPOTENTIAL OF 2,2'-BITHIOPHENE
Authors: VIRUELA PM VIRUELA R ORTI E
Citation: Pm. Viruela et al., DIFFICULTIES OF DENSITY-FUNCTIONAL THEORY IN PREDICTING THE TORSIONALPOTENTIAL OF 2,2'-BITHIOPHENE, International journal of quantum chemistry, 70(2), 1998, pp. 303-312
ACTIVATION OF MOLECULES IN CONFINED SPACES - AN APPROACH TO ZEOLITE-GUEST SUPRAMOLECULAR SYSTEMS
Authors: CORMA A GARCIA H SASTRE G VIRUELA PM
Citation: A. Corma et al., ACTIVATION OF MOLECULES IN CONFINED SPACES - AN APPROACH TO ZEOLITE-GUEST SUPRAMOLECULAR SYSTEMS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(23), 1997, pp. 4575-4582
THEORETICAL-STUDY OF THE N-H TAUTOMERISM IN FREE-BASE PORPHYRIN
Authors: BORONAT M ORTI E VIRUELA PM TOMAS F
Citation: M. Boronat et al., THEORETICAL-STUDY OF THE N-H TAUTOMERISM IN FREE-BASE PORPHYRIN, Journal of molecular structure. Theochem, 390, 1997, pp. 149-156
SYNTHESIS, PROPERTIES AND CHARGE-TRANSFER COMPLEXES OF COVALENTLY ATTACHED [60]FULLERENE-TETRATHIAFULVALENES
Authors: MARTIN N SANCHEZ L SEOANE C ANDREU R GARIN J ORDUNA J ORTI E VIRUELA PM VIRUELA R
Citation: N. Martin et al., SYNTHESIS, PROPERTIES AND CHARGE-TRANSFER COMPLEXES OF COVALENTLY ATTACHED [60]FULLERENE-TETRATHIAFULVALENES, Journal of physics and chemistry of solids, 58(11), 1997, pp. 1713-1718
REACTION OF C-60 WITH SULTINES - SYNTHESIS, ELECTROCHEMISTRY, AND THEORETICAL CALCULATIONS OF ORGANOFULLERENE ACCEPTORS
Authors: ILLESCAS BM MARTIN N SEOANE C ORTI E VIRUELA PM VIRUELA R DELAHOZ A
Citation: Bm. Illescas et al., REACTION OF C-60 WITH SULTINES - SYNTHESIS, ELECTROCHEMISTRY, AND THEORETICAL CALCULATIONS OF ORGANOFULLERENE ACCEPTORS, Journal of organic chemistry, 62(22), 1997, pp. 7585-7591
QUANTUM-CHEMISTRY CALCULATIONS ON THE EFFECT OF ELECTRON CONFINEMENT UPON THE FRONTIER MOLECULAR-ORBITALS OF ETHYLENE AND BENZENE IN SODALITE - IMPLICATIONS ON REACTIVITY
Authors: SASTRE G VIRUELA PM CORMA A
Citation: G. Sastre et al., QUANTUM-CHEMISTRY CALCULATIONS ON THE EFFECT OF ELECTRON CONFINEMENT UPON THE FRONTIER MOLECULAR-ORBITALS OF ETHYLENE AND BENZENE IN SODALITE - IMPLICATIONS ON REACTIVITY, Chemical physics letters, 264(6), 1997, pp. 565-572
GEOMETRIC STRUCTURE AND TORSIONAL POTENTIAL OF BIISOTHIANAPHTHENE - ACOMPARATIVE DFT AND AB-INITIO STUDY
Authors: VIRUELA PM VIRUELA R ORTI E BREDAS JL
Citation: Pm. Viruela et al., GEOMETRIC STRUCTURE AND TORSIONAL POTENTIAL OF BIISOTHIANAPHTHENE - ACOMPARATIVE DFT AND AB-INITIO STUDY, Journal of the American Chemical Society, 119(6), 1997, pp. 1360-1369
INFLUENCE OF BENZOANNULATION ON THE MOLECULAR AND ELECTRONIC-STRUCTURES OF TETRACYANOQUINODIMETHANES
Authors: ORTI E VIRUELA R VIRUELA PM
Citation: E. Orti et al., INFLUENCE OF BENZOANNULATION ON THE MOLECULAR AND ELECTRONIC-STRUCTURES OF TETRACYANOQUINODIMETHANES, Journal of physical chemistry, 100(15), 1996, pp. 6138-6146
SYNTHESIS, CHARACTERIZATION, AND THEORETICAL-STUDY OF SULFUR-CONTAINING DONOR-ACCEPTOR DCNQI DERIVATIVES WITH PHOTOINDUCED INTRAMOLECULAR ELECTRON-TRANSFER
Authors: MARTIN N SEGURA JL SEOANE C ORTI E VIRUELA PM VIRUELA R ALBERT A CANO FH VIDALGANCEDO J ROVIRA C VECIANA J
Citation: N. Martin et al., SYNTHESIS, CHARACTERIZATION, AND THEORETICAL-STUDY OF SULFUR-CONTAINING DONOR-ACCEPTOR DCNQI DERIVATIVES WITH PHOTOINDUCED INTRAMOLECULAR ELECTRON-TRANSFER, Journal of organic chemistry, 61(9), 1996, pp. 3041-3054
A QUANTUM-CHEMICAL STUDY OF PARA-TOLUENE ORTHO-TOLUENE ALKYLATION BY ADSORBED METHOXY SPECIES ON ZEOLITES
Authors: CORMA A SASTRE G VIRUELA PM
Citation: A. Corma et al., A QUANTUM-CHEMICAL STUDY OF PARA-TOLUENE ORTHO-TOLUENE ALKYLATION BY ADSORBED METHOXY SPECIES ON ZEOLITES, Journal of molecular catalysis. A, Chemical, 100(1-3), 1995, pp. 75-85
BIS(DICYANOMETHYLENE)-12-METHYLBENZO[B]PHENOXAZINE AND 6,11-DICYANIMINO-12-METHYLBENZO[B]PHENOXAZINE AS NOVEL DONOR-ACCEPTOR SYSTEMS
Authors: ILLESCAS B MARTIN N SEGURA JL SEOANE C ORTI E VIRUELA PM VIRUELA R
Citation: B. Illescas et al., BIS(DICYANOMETHYLENE)-12-METHYLBENZO[B]PHENOXAZINE AND 6,11-DICYANIMINO-12-METHYLBENZO[B]PHENOXAZINE AS NOVEL DONOR-ACCEPTOR SYSTEMS, Journal of materials chemistry, 5(10), 1995, pp. 1563-1570
NEW FUNCTIONALIZED TETRATHIAFULVALENES - X-RAY CRYSTAL-STRUCTURES ANDPHYSICOCHEMICAL PROPERTIES OF TTF-C(O)NME(2) AND TTF-C(O)-O-C4H9 - A JOINT EXPERIMENTAL AND THEORETICAL-STUDY
Authors: BATSANOV AS BRYCE MR HEATON JN MOORE AJ SKABARA PJ HOWARD JAK ORTI E VIRUELA PM VIRUELA R
Citation: As. Batsanov et al., NEW FUNCTIONALIZED TETRATHIAFULVALENES - X-RAY CRYSTAL-STRUCTURES ANDPHYSICOCHEMICAL PROPERTIES OF TTF-C(O)NME(2) AND TTF-C(O)-O-C4H9 - A JOINT EXPERIMENTAL AND THEORETICAL-STUDY, Journal of materials chemistry, 5(10), 1995, pp. 1689-1696
A THEORETICAL-STUDY OF THE MOLECULAR AND ELECTRONIC-STRUCTURE OF BENZOANNULATED TETRACYANOQUINODIMETHANES
Authors: ORTI E VIRUELA R VIRUELA PM
Citation: E. Orti et al., A THEORETICAL-STUDY OF THE MOLECULAR AND ELECTRONIC-STRUCTURE OF BENZOANNULATED TETRACYANOQUINODIMETHANES, Journal of materials chemistry, 5(10), 1995, pp. 1697-1705
MOLECULAR AND ELECTRONIC-STRUCTURE OF A LARGELY EXTENDED TETRACYANOQUINODIMETHANE
Authors: VIRUELA R VIRUELA PM ORTI E MARTIN N
Citation: R. Viruela et al., MOLECULAR AND ELECTRONIC-STRUCTURE OF A LARGELY EXTENDED TETRACYANOQUINODIMETHANE, Synthetic metals, 70(1-3), 1995, pp. 1031-1032
INFLUENCE OF NITROGEN SUBSTITUTION ON THE ELECTRONIC BAND-STRUCTURE OF POLY(PERI-NAPHTHALENE)
Authors: VIRUELA PM VIRUELA R ORTI E
Citation: Pm. Viruela et al., INFLUENCE OF NITROGEN SUBSTITUTION ON THE ELECTRONIC BAND-STRUCTURE OF POLY(PERI-NAPHTHALENE), Synthetic metals, 69(1-3), 1995, pp. 705-706
AB-INITIO DETERMINATION OF THE GEOMETRIC STRUCTURE AND INTERNAL-ROTATION POTENTIAL OF 2,2'-BITHIOPHENE
Authors: ORTI E VIRUELA PM SANCHEZMARIN J TOMAS F
Citation: E. Orti et al., AB-INITIO DETERMINATION OF THE GEOMETRIC STRUCTURE AND INTERNAL-ROTATION POTENTIAL OF 2,2'-BITHIOPHENE, Journal of physical chemistry, 99(14), 1995, pp. 4955-4963
SYNTHESIS AND CHARACTERIZATION OF NOVEL DONOR-ACCEPTOR NAPHTHOQUINONEDERIVATIVES WITH PHOTOINDUCED CHARGE-TRANSFER PROPERTIES - A JOINT EXPERIMENTAL AND THEORETICAL-STUDY
Authors: ILLESCAS B MARTIN N SEGURA JL SEOANE C ORTI E VIRUELA PM VIRUELA R
Citation: B. Illescas et al., SYNTHESIS AND CHARACTERIZATION OF NOVEL DONOR-ACCEPTOR NAPHTHOQUINONEDERIVATIVES WITH PHOTOINDUCED CHARGE-TRANSFER PROPERTIES - A JOINT EXPERIMENTAL AND THEORETICAL-STUDY, Journal of organic chemistry, 60(17), 1995, pp. 5643-5650
SYNTHESIS AND CHARACTERIZATION OF 11,11,12,12-TETRACYANO-1,4-ANTHRAQUINODIMETHANES (1,4-TCAQS) - NOVEL ELECTRON ACCEPTERS WITH PHOTOINDUCEDCHARGE-TRANSFER PROPERTIES
Authors: MARTIN N SEGURA JL SEOANE C DELACRUZ P LANGA F ORTI E VIRUELA PM VIRUELA R
Citation: N. Martin et al., SYNTHESIS AND CHARACTERIZATION OF 11,11,12,12-TETRACYANO-1,4-ANTHRAQUINODIMETHANES (1,4-TCAQS) - NOVEL ELECTRON ACCEPTERS WITH PHOTOINDUCEDCHARGE-TRANSFER PROPERTIES, Journal of organic chemistry, 60(13), 1995, pp. 4077-4084
THE 1ST SULFUR-CONTAINING TWIN-DCNQI-TYPE ACCEPTOR
Authors: GONZALEZ M DEMIGUEL P MARTIN N SEGURA JL SEOANE C ORTI E VIRUELA R VIRUELA PM
Citation: M. Gonzalez et al., THE 1ST SULFUR-CONTAINING TWIN-DCNQI-TYPE ACCEPTOR, Advanced materials, 6(10), 1994, pp. 765-768
SINGLE-COMPONENT DONOR-ACCEPTOR ORGANIC SEMICONDUCTORS DERIVED FROM TCNQ
Authors: BANDO P MARTIN N SEGURA JL SEOANE C ORTI E VIRUELA PM VIRUELA R ALBERT A CANO FH
Citation: P. Bando et al., SINGLE-COMPONENT DONOR-ACCEPTOR ORGANIC SEMICONDUCTORS DERIVED FROM TCNQ, Journal of organic chemistry, 59(16), 1994, pp. 4618-4629
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
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