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Results: 1-25 |
Results: 25
QUANTUM MONTE-CARLO CALCULATIONS OF THE ONE-BODY DENSITY-MATRIX AND EXCITATION-ENERGIES OF SILICON
Authors: KENT PRC HOOD RQ TOWLER MD NEEDS RJ RAJAGOPAL G
Citation: Prc. Kent et al., QUANTUM MONTE-CARLO CALCULATIONS OF THE ONE-BODY DENSITY-MATRIX AND EXCITATION-ENERGIES OF SILICON, Physical review. B, Condensed matter, 57(24), 1998, pp. 15293-15302
DIFFUSION QUANTUM MONTE-CARLO CALCULATIONS OF THE EXCITED-STATES OF SILICON
Authors: WILLIAMSON AJ HOOD RQ NEEDS RJ RAJAGOPAL G
Citation: Aj. Williamson et al., DIFFUSION QUANTUM MONTE-CARLO CALCULATIONS OF THE EXCITED-STATES OF SILICON, Physical review. B, Condensed matter, 57(19), 1998, pp. 12140-12144
EXCHANGE AND CORRELATION IN SILICON
Authors: HOOD RQ CHOU MY WILLIAMSON AJ RAJAGOPAL G NEEDS RJ
Citation: Rq. Hood et al., EXCHANGE AND CORRELATION IN SILICON, Physical review. B, Condensed matter, 57(15), 1998, pp. 8972-8982
SYNTHESIS AND SPECTRAL CHARACTERIZATION OF COPPER(II), NICKEL(II), COBALT(II), OXOVANADIUM(IV) AND RUTHENIUM(II) COMPLEXES OF SOME CONJUGATED 2-HYDROXYACETOPHENONES
Authors: ATHAPPAN PR RAJAGOPAL G
Citation: Pr. Athappan et G. Rajagopal, SYNTHESIS AND SPECTRAL CHARACTERIZATION OF COPPER(II), NICKEL(II), COBALT(II), OXOVANADIUM(IV) AND RUTHENIUM(II) COMPLEXES OF SOME CONJUGATED 2-HYDROXYACETOPHENONES, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 36(4), 1997, pp. 317-320
RUTHENIUM(II) (III) AND OXOVANADIUM(IV) COMPLEXES OF HIGHLY CONJUGATED BETA-DIKETONES AND THEIR MACROCYCLIC SCHIFF-BASE BINUCLEAR COPPER(II) COMPLEXES/
Authors: ATHAPPAN P RAJAGOPAL G
Citation: P. Athappan et G. Rajagopal, RUTHENIUM(II) (III) AND OXOVANADIUM(IV) COMPLEXES OF HIGHLY CONJUGATED BETA-DIKETONES AND THEIR MACROCYCLIC SCHIFF-BASE BINUCLEAR COPPER(II) COMPLEXES/, Transition metal chemistry, 22(2), 1997, pp. 167-171
COPPER(II), NICKEL(II), COBALT(II) AND OXOVANADIUM(IV) COMPLEXES OF XY-2-NAPHTHYL)-5-(P-X-PHENYL)PENT-4-ENE-1,3-DIONES
Authors: ATHAPPAN P RAJAGOPAL G
Citation: P. Athappan et G. Rajagopal, COPPER(II), NICKEL(II), COBALT(II) AND OXOVANADIUM(IV) COMPLEXES OF XY-2-NAPHTHYL)-5-(P-X-PHENYL)PENT-4-ENE-1,3-DIONES, Transition metal chemistry, 22(1), 1997, pp. 84-88
ELIMINATION OF COULOMB FINITE-SIZE EFFECTS IN QUANTUM MANY-BODY SIMULATIONS
Authors: WILLIAMSON AJ RAJAGOPAL G NEEDS RJ FRASER LM FOULKES WMC WANG Y CHOU MY
Citation: Aj. Williamson et al., ELIMINATION OF COULOMB FINITE-SIZE EFFECTS IN QUANTUM MANY-BODY SIMULATIONS, Physical review. B, Condensed matter, 55(8), 1997, pp. 4851-4854
FIRST-PRINCIPLES CALCULATIONS OF THE ADSORBATE-INDUCED SURFACE STRESSOF K AL(111)-(ROOT-3X-ROOT-3)R30-DEGREES/
Authors: NEEDS RJ RAJAGOPAL G
Citation: Rj. Needs et G. Rajagopal, FIRST-PRINCIPLES CALCULATIONS OF THE ADSORBATE-INDUCED SURFACE STRESSOF K AL(111)-(ROOT-3X-ROOT-3)R30-DEGREES/, Surface science, 372(1-3), 1997, pp. 179-184
QUANTUM MONTE-CARLO INVESTIGATION OF EXCHANGE AND CORRELATION IN SILICON
Authors: HOOD RQ CHOU MY WILLIAMSON AJ RAJAGOPAL G NEEDS RJ FOULKES WMC
Citation: Rq. Hood et al., QUANTUM MONTE-CARLO INVESTIGATION OF EXCHANGE AND CORRELATION IN SILICON, Physical review letters, 78(17), 1997, pp. 3350-3353
QUANTUM MONTE-CARLO STUDIES OF ELECTRONIC SYSTEMS
Authors: NEEDS RJ RAJAGOPAL G WILLIAMSON AJ KENNY SD FRASER LM FOULKES WMC JAMES AJ MACCALLUM P
Citation: Rj. Needs et al., QUANTUM MONTE-CARLO STUDIES OF ELECTRONIC SYSTEMS, Journal of the Korean Physical Society, 29, 1996, pp. 116-120
SYNTHESIS, SPECTROSCOPIC AND REDOX BEHAVIOR OF COPPER(II), NICKEL(II)AND COBALT(II) COMPLEXES OF SOME MACROCYCLIC MULTIDENTATES
Authors: ATHAPPAN P RAJAGOPAL G
Citation: P. Athappan et G. Rajagopal, SYNTHESIS, SPECTROSCOPIC AND REDOX BEHAVIOR OF COPPER(II), NICKEL(II)AND COBALT(II) COMPLEXES OF SOME MACROCYCLIC MULTIDENTATES, Polyhedron, 15(3), 1996, pp. 527-534
FINITE-SIZE EFFECTS AND COULOMB INTERACTIONS IN QUANTUM MONTE-CARLO CALCULATIONS FOR HOMOGENEOUS SYSTEMS WITH PERIODIC BOUNDARY-CONDITIONS
Authors: FRASER LM FOULKES WMC RAJAGOPAL G NEEDS RJ KENNY SD WILLIAMSON AJ
Citation: Lm. Fraser et al., FINITE-SIZE EFFECTS AND COULOMB INTERACTIONS IN QUANTUM MONTE-CARLO CALCULATIONS FOR HOMOGENEOUS SYSTEMS WITH PERIODIC BOUNDARY-CONDITIONS, Physical review. B, Condensed matter, 53(4), 1996, pp. 1814-1832
OPTIMIZED WAVE-FUNCTIONS FOR QUANTUM MONTE-CARLO STUDIES OF ATOMS ANDSOLIDS
Authors: WILLIAMSON AJ KENNY SD RAJAGOPAL G JAMES AJ NEEDS RJ FRASER LM FOULKES WMC MACCULLUM P
Citation: Aj. Williamson et al., OPTIMIZED WAVE-FUNCTIONS FOR QUANTUM MONTE-CARLO STUDIES OF ATOMS ANDSOLIDS, Physical review. B, Condensed matter, 53(15), 1996, pp. 9640-9648
SYNTHESIS AND STRUCTURE OF BETA-KETOANILIDE METAL(II) COMPLEXES
Authors: ATHAPPAN PR SEVAGAPANDIAN S RAJAGOPAL G
Citation: Pr. Athappan et al., SYNTHESIS AND STRUCTURE OF BETA-KETOANILIDE METAL(II) COMPLEXES, Synthesis and reactivity in inorganic and metal-organic chemistry, 26(4), 1996, pp. 647-667
QUANTUM MONTE-CARLO CALCULATIONS OF THE ENERGY OF THE RELATIVISTIC HOMOGENEOUS ELECTRON-GAS
Authors: KENNY SD RAJAGOPAL G NEEDS RJ LEUNG WK GODFREY MJ WILLIAMSON AJ FOULKES WMC
Citation: Sd. Kenny et al., QUANTUM MONTE-CARLO CALCULATIONS OF THE ENERGY OF THE RELATIVISTIC HOMOGENEOUS ELECTRON-GAS, Physical review letters, 77(6), 1996, pp. 1099-1102
CONTRIBUTIONS OF OXIDE FILM AND BACTERIAL METABOLISM TO THE ENNOBLEMENT PROCESS - EVIDENCE FOR A NOVEL MECHANISM
Authors: MARUTHAMUTHU S RAJAGOPAL G SATHIYANARAYANAN S ANGAPPAN S EASHWAR M BALAKRISHNAN K
Citation: S. Maruthamuthu et al., CONTRIBUTIONS OF OXIDE FILM AND BACTERIAL METABOLISM TO THE ENNOBLEMENT PROCESS - EVIDENCE FOR A NOVEL MECHANISM, Current Science, 71(4), 1996, pp. 315-320
RELATIVISTIC CORRECTIONS TO ATOMIC ENERGIES FROM QUANTUM MONTE-CARLO CALCULATIONS
Authors: KENNY SD RAJAGOPAL G NEEDS RJ
Citation: Sd. Kenny et al., RELATIVISTIC CORRECTIONS TO ATOMIC ENERGIES FROM QUANTUM MONTE-CARLO CALCULATIONS, Physical review. A, 51(3), 1995, pp. 1898-1904
A PHOTOELECTROCHEMICAL APPROACH TO THE ENNOBLEMENT PROCESS - PROPOSALOF AN ADSORBED INHIBITOR THEORY
Authors: MARUTHAMUTHU S RAJAGOPAL G SATHIANARAYANNAN S EASHWAR M BALAKRISHNAN K
Citation: S. Maruthamuthu et al., A PHOTOELECTROCHEMICAL APPROACH TO THE ENNOBLEMENT PROCESS - PROPOSALOF AN ADSORBED INHIBITOR THEORY, Biofouling, 8(3), 1995, pp. 223-232
SYNTHESIS AND CHARACTERIZATION OF COBALT(II), NICKEL(II), COPPER(II),ZINC(II) AND CADMIUM(II) COMPLEXES OF QUINOLINE-8-SULFINIC ACID
Authors: ATHAPPAN PR RAJAGOPAL G NATARAJAN C
Citation: Pr. Athappan et al., SYNTHESIS AND CHARACTERIZATION OF COBALT(II), NICKEL(II), COPPER(II),ZINC(II) AND CADMIUM(II) COMPLEXES OF QUINOLINE-8-SULFINIC ACID, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 34(5), 1995, pp. 400-402
SYNTHESIS AND CHARACTERIZATION OF COPPER(II), NICKEL(II), COBALT(II),ZINC(II) AND CADMIUM(II) COMPLEXES OF 5,6-DIPHENYL-3-(2'HYDROXYPHENYL)-1,2,4-TRIAZINE
Authors: ATHAPPAN PR SAROJA PM RAJAGOPAL G
Citation: Pr. Athappan et al., SYNTHESIS AND CHARACTERIZATION OF COPPER(II), NICKEL(II), COBALT(II),ZINC(II) AND CADMIUM(II) COMPLEXES OF 5,6-DIPHENYL-3-(2'HYDROXYPHENYL)-1,2,4-TRIAZINE, Indian journal of chemistry. Sect. A: Inorganic, physical, theoretical & analytical, 34(2), 1995, pp. 152-153
SYNTHESIS AND SPECTRAL STUDIES OF COPPER(II), NICKEL(II), COBALT(II) AND VANADYL(II) COMPLEXES OF TRIDENTATE SCHIFF-BASES OF ENYL-5-(PHENYLMETHYLENE)-2-NAPHTHALENE-CARBOXAMIDE
Authors: ATHAPPAN P SEVAGAPANDIAN S RAJAGOPAL G
Citation: P. Athappan et al., SYNTHESIS AND SPECTRAL STUDIES OF COPPER(II), NICKEL(II), COBALT(II) AND VANADYL(II) COMPLEXES OF TRIDENTATE SCHIFF-BASES OF ENYL-5-(PHENYLMETHYLENE)-2-NAPHTHALENE-CARBOXAMIDE, Transition metal chemistry, 20(5), 1995, pp. 472-476
SYNTHESIS AND SPECTRAL STUDIES OF COPPER(II), NICKEL(II) AND COBALT(II) COMPLEXES OF 2-HYDROXY-OMEGA-4-X-CINNAMOYL ACETOPHENONES AND THEIR PYRIDINE ADDUCTS
Authors: ATHAPPAN P RAJAGOPAL G
Citation: P. Athappan et G. Rajagopal, SYNTHESIS AND SPECTRAL STUDIES OF COPPER(II), NICKEL(II) AND COBALT(II) COMPLEXES OF 2-HYDROXY-OMEGA-4-X-CINNAMOYL ACETOPHENONES AND THEIR PYRIDINE ADDUCTS, Transition metal chemistry, 20(4), 1995, pp. 356-360
VARIATIONAL AND DIFFUSION QUANTUM MONTE-CARLO CALCULATIONS AT NONZEROWAVE VECTORS - THEORY AND APPLICATION TO DIAMOND-STRUCTURE GERMANIUM
Authors: RAJAGOPAL G NEEDS RJ JAMES A KENNY SD FOULKES WMC
Citation: G. Rajagopal et al., VARIATIONAL AND DIFFUSION QUANTUM MONTE-CARLO CALCULATIONS AT NONZEROWAVE VECTORS - THEORY AND APPLICATION TO DIAMOND-STRUCTURE GERMANIUM, Physical review. B, Condensed matter, 51(16), 1995, pp. 10591-10600
QUANTUM MONTE-CARLO CALCULATIONS FOR SOLIDS USING SPECIAL K POINTS METHODS
Authors: RAJAGOPAL G NEEDS RJ KENNY S FOULKES WMC JAMES A
Citation: G. Rajagopal et al., QUANTUM MONTE-CARLO CALCULATIONS FOR SOLIDS USING SPECIAL K POINTS METHODS, Physical review letters, 73(14), 1994, pp. 1959-1962
AN OPTIMIZED EWALD METHOD FOR LONG-RANGED POTENTIALS
Authors: RAJAGOPAL G NEEDS RJ
Citation: G. Rajagopal et Rj. Needs, AN OPTIMIZED EWALD METHOD FOR LONG-RANGED POTENTIALS, Journal of computational physics, 115(2), 1994, pp. 399-405
Risultati: 1-25 |