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Results:
1-11
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Results: 11
Authors:
SAUER J
SCHRODER KP
TERMATH V
Citation: J. Sauer et al., COMPARING THE ACIDITIES OF MICROPOROUS ALUMINOSILICATE AND SILICO-ALUMINOPHOSPHATE CATALYSTS - A COMBINED QUANTUM MECHANICS-INTERATOMIC POTENTIAL FUNCTION STUDY, Collection of Czechoslovak Chemical Communications, 63(9), 1998, pp. 1394-1408
Authors:
HUBNER O
TERMATH V
BERNING A
SAUER J
Citation: O. Hubner et al., A CASSCF ACPF STUDY OF SPECTROSCOPIC PROPERTIES OF FES AND FES- AND THE PHOTOELECTRON-SPECTRUM OF FES-/, Chemical physics letters, 294(1-3), 1998, pp. 37-44
Authors:
TERMATH V
HAASE F
SAUER J
HUTTER J
PARRINELLO M
Citation: V. Termath et al., UNDERSTANDING THE NATURE OF WATER BOUND TO SOLID ACID SURFACES - AB-INITIO SIMULATION ON HSAPO-34, Journal of the American Chemical Society, 120(33), 1998, pp. 8512-8516
Authors:
JIGATO MP
SOMASUNDRAM K
TERMATH V
HANDY NC
KING DA
Citation: Mp. Jigato et al., VIBRATIONAL FREQUENCIES FOR NO CHEMISORBED ON DIFFERENT SITES - DFT CALCULATIONS ON PD CLUSTERS, Surface science, 380(1), 1997, pp. 83-90
Authors:
TERMATH V
SAUER J
Citation: V. Termath et J. Sauer, AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF H5O2-PHASE CLUSTERS BASED ON DENSITY-FUNCTIONAL THEORY( AND H7O3+ GAS), Molecular physics, 91(5), 1997, pp. 963-975
Authors:
TERMATH V
Citation: V. Termath, DIAGONALIZATION FREE IMPLEMENTATION OF KOHN-SHAM EQUATIONS WITH LOCALIZED BASIS-SETS, International journal of quantum chemistry, 61(2), 1997, pp. 349-353
Authors:
TERMATH V
SAUER J
Citation: V. Termath et J. Sauer, OPTIMIZED MOLECULAR INTEGRATION SCHEMES FOR DENSITY-FUNCTIONAL THEORYAB-INITIO MOLECULAR-DYNAMICS SIMULATIONS, Chemical physics letters, 255(1-3), 1996, pp. 187-194
Authors:
JIGATO MP
TERMATH V
GARDNER P
HANDY NC
KING DA
RASSIAS S
SURMAN M
Citation: Mp. Jigato et al., SOFT-X-RAY PHOTOABSORPTION OF THE NO DIMER, Molecular physics, 85(3), 1995, pp. 619-633
Authors:
TERMATH V
HANDY NC
Citation: V. Termath et Nc. Handy, A KOHN-SHAM METHOD INVOLVING THE DIRECT DETERMINATION OF THE COULOMB POTENTIAL ON A NUMERICAL GRID, Chemical physics letters, 230(1-2), 1994, pp. 17-24
Authors:
TERMATH V
TOZER DJ
HANDY NC
Citation: V. Termath et al., DENSITY-FUNCTIONAL THEORY STUDIES OF 4-PI-ELECTRON SYSTEMS, Chemical physics letters, 228(1-3), 1994, pp. 239-245
Authors:
LAMING GJ
TERMATH V
HANDY NC
Citation: Gj. Laming et al., A GENERAL-PURPOSE EXCHANGE-CORRELATION ENERGY FUNCTIONAL, The Journal of chemical physics, 99(11), 1993, pp. 8765-8773
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1-11
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