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Results:
1-21
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Results: 21
Authors:
DUDESEK P
BENCO L
DAUL C
SCHWARZ K
Citation: P. Dudesek et al., D-TO-S BONDING IN GAN, Journal of physics. Condensed matter, 10(32), 1998, pp. 7155-7162
Authors:
GILARDONI F
WEBER J
HAUSER A
DAUL C
Citation: F. Gilardoni et al., A COMPARISON OF GROUND-STATE AND EXCITED-STATE PROPERTIES OF GAS-PHASE AND CRYSTALLINE RUTHENOCENE USING DENSITY-FUNCTIONAL THEORY, The Journal of chemical physics, 109(4), 1998, pp. 1425-1434
Authors:
BESANCON K
LAURENCZY G
LUMINI T
ROULET R
BRUYNDONCKX R
DAUL C
Citation: K. Besancon et al., EXPERIMENTAL AND THEORETICAL-STUDIES OF THE SITE EXCHANGES IN RH-4(CO)(12) AND IRRH3(CO)(12), Inorganic chemistry, 37(21), 1998, pp. 5634-5640
Authors:
ATANASOV M
BRUNOLD TC
GUDEL HU
DAUL C
Citation: M. Atanasov et al., CHARGE-TRANSFER SPECTRA AND BONDING IN TETRAHEDRAL MN-VI, CR-V, AND V-IV AND MN-VII, CR-VI AND V-V OXO ANIONS, Inorganic chemistry, 37(18), 1998, pp. 4589-4602
Authors:
DOCLO K
DECORTE D
DAUL C
GUDEL HU
Citation: K. Doclo et al., GROUND-STATE AND EXCITED STATED PROPERTIES OF HEXAAMMINECHROMIUM(III)ION - A DENSITY-FUNCTIONAL STUDY, Inorganic chemistry, 37(15), 1998, pp. 3842-3847
Authors:
BUCHS M
DAUL C
Citation: M. Buchs et C. Daul, GEOMETRY OPTIMIZATION AND EXCITED-STATES OF TRIS(2,2-BIPYRIDINE)RUTHENIUM(II) USING DENSITY-FUNCTIONAL THEORY, Chimia, 52(4), 1998, pp. 163-166
Authors:
DUBUSKE LM
GROSSMAN J
DUBE LM
SWANSON LJ
LANCASTER JF
BERGER W
CHAROUS BL
CRINER G
DAUL C
EDWARDS T
FINK JN
FLESCHER J
HOWLAND WC
KAISER HB
KORENBLAT PE
KUSSIN PS
LANG D
LIGHT R
NATHAN R
PIEN L
PLATTSMILLS TAE
RAMSDELL J
SCARDELLA AT
SCHENKEL EJ
SELNER J
SILVERS WS
CARPENTIER PJ
SWANSON SW
MANSKI RP
RUFF DD
Citation: Lm. Dubuske et al., RANDOMIZED TRIAL OF ZILEUTON IN PATIENTS WITH MODERATE ASTHMA - EFFECT OF REDUCED DOSING FREQUENCY AND AMOUNTS ON PULMONARY-FUNCTION AND ASTHMA SYMPTOMS, American journal of managed care, 3(4), 1997, pp. 633-640
Authors:
WARD TR
SCHAFER O
DAUL C
HOFMANN P
Citation: Tr. Ward et al., GEOMETRY OF COORDINATIVELY UNSATURATED 2-LEGGED PIANO STOOL COMPLEXESWITH 16 VALENCE-ELECTRONS - A THEORETICAL-STUDY, Organometallics, 16(14), 1997, pp. 3207-3215
Authors:
SCHAFER O
DAUL C
Citation: O. Schafer et C. Daul, MODELING OF THE HYDRATION SPHERE OF GADOLINIUM(III) ION USING DENSITY-FUNCTIONAL THEORY, International journal of quantum chemistry, 61(3), 1997, pp. 541-546
Authors:
BARRIUSO MT
ARAMBURU JA
DAUL C
MORENO M
Citation: Mt. Barriuso et al., A MICROSCOPIC INSIGHT INTO OSCILLATOR-STRENGTHS - THE CHARGE-TRANSFERBANDS FOR CUCL42-, International journal of quantum chemistry, 61(3), 1997, pp. 563-570
Authors:
DAUL C
DAUL S
Citation: C. Daul et S. Daul, SYMMETRICAL NONPRODUCT QUADRATURE-RULES FOR A FAST CALCULATION OF MULTICENTER INTEGRALS, International journal of quantum chemistry, 61(2), 1997, pp. 219-230
Authors:
BRUYNDONCKX R
DAUL C
MANOHARAN PT
DEISS E
Citation: R. Bruyndonckx et al., A NONEMPIRICAL APPROACH TO GROUND-STATE JAHN-TELLER DISTORTION - CASE-STUDY OF VCL4+, Inorganic chemistry, 36(19), 1997, pp. 4251-4256
Authors:
DEISS E
WOKAUN A
BARRAS JL
DAUL C
DUFEK P
Citation: E. Deiss et al., AVERAGE VOLTAGE, ENERGY DENSITY, AND SPECIFIC ENERGY OF LITHIUM-ION BATTERIES - CALCULATION BASED ON FIRST PRINCIPLES, Journal of the Electrochemical Society, 144(11), 1997, pp. 3877-3881
Authors:
GILARDONI F
WEBER J
BELLAFROUH K
DAUL C
GUDEL HU
Citation: F. Gilardoni et al., EXCITED-STATE PROPERTIES OF CR3- A DENSITY-FUNCTIONAL STUDY( IN CS2NAYCL6 AND CS2NAYBR6 ), The Journal of chemical physics, 104(19), 1996, pp. 7624-7632
Authors:
DAUL C
FRIOUD M
SCHAFER O
SELLONI A
Citation: C. Daul et al., NONEMPIRICAL DYNAMICAL DFT CALCULATION OF THE BERRY PSEUDOROTATION OFPF5, Chemical physics letters, 262(1-2), 1996, pp. 74-79
Authors:
BELLAFROUH K
DAUL C
GUDEL HU
GILARDONI F
WEBER J
Citation: K. Bellafrouh et al., DENSITY-FUNCTIONAL INVESTIGATION OF THE EXCITED-STATE PROPERTIES AND THE JAHN-TELLER EFFECT IN [CRX6](3-) (X=CL-, BR-), Theoretica Chimica Acta, 91(3-4), 1995, pp. 215-224
Authors:
DAUL C
Citation: C. Daul, DENSITY-FUNCTIONAL THEORY APPLIED TO THE EXCITED-STATES OF COORDINATION-COMPOUNDS, International journal of quantum chemistry, 52(4), 1994, pp. 867-877
Authors:
DAUL C
BAERENDS EJ
VERNOOIJS P
Citation: C. Daul et al., A DENSITY-FUNCTIONAL STUDY OF THE MLCT STATES OF [RU(BPY)3]2+ IN D3 SYMMETRY, Inorganic chemistry, 33(16), 1994, pp. 3538-3543
Authors:
DAUL C
Citation: C. Daul, COMPUTATIONAL INORGANIC AND ANALYTICAL-CHEMISTRY, Chimia, 48(9), 1994, pp. 343-347
Authors:
SANKARAPANDI S
CHANDRAMOULI GVR
DAUL C
MANOHARAN PT
Citation: S. Sankarapandi et al., FAST COMPUTATION OF DYNAMIC EPR-SPECTRA OF BIRADICALS, Journal of magnetic resonance. Series A, 103(2), 1993, pp. 163-170
Authors:
DAUL C
EMMENEGGER F
MLINAR M
PICCAND M
Citation: C. Daul et al., GASEOUS COMPLEXES OF COCL2 WITH PYRIDINE, Inorganic chemistry, 32(14), 1993, pp. 2992-2995
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