Publications
392 results found
ROBB MA, 1984, MODERN QUANTUM-CHEMISTRY - SZABO,A, OSTLUND,NS, JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, Vol: 80, Pages: 350-351, ISSN: 0300-9238
BERNARDI F, BOTTONI A, ROBB MA, 1984, A MULTIREFERENCE ENERGY DECOMPOSITION SCHEME WITH RESPECT TO FRAGMENT VALENCE STATES, THEORETICA CHIMICA ACTA, Vol: 64, Pages: 259-263, ISSN: 0040-5744
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- Citations: 6
ROBB MA, NIAZI U, 1984, THE UNITARY-GROUP APPROACH IN CONFIGURATION-INTERACTION (CI) METHODS, COMPUTER PHYSICS REPORTS, Vol: 1, Pages: 127-236, ISSN: 0167-7977
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- Citations: 54
BERNARDI F, BOTTONI A, MCDOUALL JJW, et al., 1984, MCSCF GRADIENT CALCULATION OF TRANSITION STRUCTURES IN ORGANIC-REACTIONS, FARADAY SYMPOSIA OF THE CHEMICAL SOCIETY, Pages: 137-147, ISSN: 0301-5696
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- Citations: 23
THEODORAKOPOULOS G, PETSALAKIS ID, CSIZMADIA IG, et al., 1984, THEORETICAL AND EXPERIMENTAL IONIZATION-POTENTIALS OF (CH3)2S AND (CH3)2SO - THE EFFECT OF SUBSTITUENTS R ON THE SULFUR ESCA SHIFTS IN THE SERIES R2S, R2SO, R2SO2, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol: 19, Pages: 381-387, ISSN: 0166-1280
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- Citations: 1
BAKER H, ROBB MA, 1983, A SIZE CONSISTENT UNITARY-GROUP APPROACH MULTI-REFERENCE LINEAR COUPLED CLUSTER THEORY, MOLECULAR PHYSICS, Vol: 50, Pages: 1077-1082, ISSN: 0026-8976
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- Citations: 36
BERNARDI F, ROBB MA, 1983, A MULTI-REFERENCE APPROACH TO ENERGY DECOMPOSITION FOR MOLECULAR-INTERACTIONS, MOLECULAR PHYSICS, Vol: 48, Pages: 1345-1355, ISSN: 0026-8976
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- Citations: 26
KOZMUTZA C, KAPUY E, ROBB MA, et al., 1982, THEORY OF LONE PAIRS .4. MOLECULAR ION HOLE STATES OF 10-ELECTRON HYDRIDES - MOLECULAR IONIZATION-POTENTIALS AND PROTON AFFINITIES BY DIRECT SCF CALCULATIONS, JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol: 3, Pages: 14-22, ISSN: 0192-8651
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- Citations: 9
SCHLEGEL HB, ROBB MA, 1982, MC SCF GRADIENT OPTIMIZATION OF THE H2CO-]H-2 + CO TRANSITION STRUCTURE, CHEMICAL PHYSICS LETTERS, Vol: 93, Pages: 43-46, ISSN: 0009-2614
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- Citations: 216
STRAUSZ OP, KAPUY E, KOZMUTZA C, et al., 1982, GEOMETRY DEPENDENCE OF THE PROTON AFFINITIES IN THE ELECTRONIC GROUND, EXCITED TRIPLET AND IONIZED DOUBLET STATES OF H2CO AND H2COH+, JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, Vol: 6, Pages: 235-245, ISSN: 0166-1280
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- Citations: 1
BAKER H, ROBB MA, SLATTERY Z, 1981, THE METHOD OF MINIMIZED ITERATIONS IN MULTI-REFERENCE (EFFECTIVE HAMILTONIAN) PERTURBATION-THEORY, MOLECULAR PHYSICS, Vol: 44, Pages: 1035-1042, ISSN: 0026-8976
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- Citations: 23
EADE RHA, ROBB MA, 1981, DIRECT MINIMIZATION IN MC SCF THEORY - THE QUASI-NEWTON METHOD, CHEMICAL PHYSICS LETTERS, Vol: 83, Pages: 362-368, ISSN: 0009-2614
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- Citations: 290
ROBB MA, WILSON S, 1980, COMPARISON WITHIN THE ALGEBRAIC-APPROXIMATION OF MANY-BODY PERTURBATION-THEORY AND CONFIGURATION-INTERACTION FOR THE BERYLLIUM DIMER, MOLECULAR PHYSICS, Vol: 40, Pages: 1333-1340, ISSN: 0026-8976
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- Citations: 9
THEODORAKOPOULOS G, CSIZMADIA IG, ROBB MA, 1980, THEORETICAL INVESTIGATION OF THE SULFUR K-LL AUGER ENERGIES AND CHEMICAL-SHIFTS IN A SERIES OF SULFUR-COMPOUNDS, CHEMICAL PHYSICS LETTERS, Vol: 69, Pages: 66-70, ISSN: 0009-2614
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- Citations: 1
BAKER H, HEGARTY D, ROBB MA, 1980, AN ENERGY-INDEPENDENT EFFECTIVE HAMILTONIAN FOR ETHYLENE, MOLECULAR PHYSICS, Vol: 41, Pages: 653-668, ISSN: 0026-8976
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- Citations: 13
BERNARDI F, ROBB MA, TONACHINI G, 1979, CORRELATION EFFECTS IN CONFORMATIONAL PROBLEMS, CHEMICAL PHYSICS LETTERS, Vol: 66, Pages: 195-198, ISSN: 0009-2614
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- Citations: 13
HEGARTY D, ROBB MA, 1979, APPLICATION OF UNITARY GROUP-METHODS TO CONFIGURATION-INTERACTION CALCULATIONS, MOLECULAR PHYSICS, Vol: 38, Pages: 1795-1812, ISSN: 0026-8976
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- Citations: 409
HEGARTY D, ROBB MA, 1979, CALCULATION OF EFFECTIVE HAMILTONIANS USING QUASI-DEGENERATE RAYLEIGH-SCHRODINGER PERTURBATION-THEORY (QD-RSPT), MOLECULAR PHYSICS, Vol: 37, Pages: 1455-1468, ISSN: 0026-8976
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- Citations: 51
ROBB MA, THEODORAKOPOULOS G, CSIZMADIA IG, 1978, THEORETICAL AUGER ENERGIES USING A FROZEN ORBITAL APPROXIMATION - S(2P-]MM') AND O(1S-]MM') AUGER SPECTRUM OF SO2, CHEMICAL PHYSICS LETTERS, Vol: 57, Pages: 423-428, ISSN: 0009-2614
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- Citations: 8
MEZEY PG, ROBB MA, YATES K, et al., 1978, INSTABILITY OF PLANAR STRUCTURE OF CARBANION (-)-CH2-CN, THEORETICA CHIMICA ACTA, Vol: 49, Pages: 277-281, ISSN: 0040-5744
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- Citations: 14
STRAUSZ OP, KOZMUTZA C, KAPUY E, et al., 1978, VERTICAL PROTON AFFINITIES OF CH2O AND CH2OH+ IN THEIR GROUND SINGLET, EXCITED TRIPLET AND IONIZED DOUBLET STATES, THEORETICA CHIMICA ACTA, Vol: 48, Pages: 215-221, ISSN: 0040-5744
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- Citations: 7
ALTMANN JA, CSIZMADIA IG, ROBB MA, et al., 1978, THEORETICAL-STUDY CONCERNING MECHANISMS OF MOLECULAR REARRANGEMENT OF CARBONYL-COMPOUNDS TO OXACARBENES IN LOWEST TRIPLET-STATE, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, Vol: 100, Pages: 1653-1657, ISSN: 0002-7863
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- Citations: 19
EADE RHA, ROBB MA, THEODORAKOPOULOS G, et al., 1977, CALCULATION OF SULFUR L(S2P)-MM AUGER ENERGIES OF H2S, CHEMICAL PHYSICS LETTERS, Vol: 52, Pages: 526-529, ISSN: 0009-2614
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- Citations: 11
STRAUSZ OP, ROBB MA, THEODORAKOPOULOS G, et al., 1977, CALCULATIONS ON SINGLET-TRIPLET ENERGY SEPARATIONS OF SILAETHYLENE, CHEMICAL PHYSICS LETTERS, Vol: 48, Pages: 162-165, ISSN: 0009-2614
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- Citations: 26
DOWNWARD MJ, ROBB MA, 1977, COMPUTATION OF REPRESENTATION MATRICES OF GENERATORS OF UNITARY GROUP, THEORETICA CHIMICA ACTA, Vol: 46, Pages: 129-141, ISSN: 0040-5744
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- Citations: 34
THEODORAKOPOULOS G, CSIZMADIA IG, ROBB MA, et al., 1977, EXPERIMENTAL (ESCA) AND THEORETICAL (SCF-MO) DETERMINATION OF OXIDATION-STATE OF SULFUR IN BIS(2-CARBOXYPHENYL) SULFUR DIHYDROXIDE DILACTONE, JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, Vol: 73, Pages: 293-297, ISSN: 0300-9238
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- Citations: 11
PRIME S, ROBB MA, 1977, IONIZATION-POTENTIALS OF CH4 AND H2O COMPUTED USING QUASI-DEGENERATE MANY-BODY PERTURBATION-THEORY (QD-MBPT), CHEMICAL PHYSICS LETTERS, Vol: 47, Pages: 527-532, ISSN: 0009-2614
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- Citations: 7
GOSAVI RK, STRAUSZ OP, GAMMIE L, et al., 1976, MOLECULAR-ORBITAL STUDIES ON LOW-LYING SINGLET AND TRIPLET-STATES OF SILAETHYLENE AND ITS CARBENIC TAUTOMERS, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 172, Pages: 167-167, ISSN: 0065-7727
PRIME S, ROBB MA, 1976, MANY-BODY PERTURBATION METHODS IN A DISCRETE ORBITAL BASIS - APPLICATION TO CH4 AND NE, THEORETICA CHIMICA ACTA, Vol: 42, Pages: 181-192, ISSN: 0040-5744
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- Citations: 25
Diercksen EGHF, Sutcliffe BT, Veillard A, 1975, Pair Functions and Diagrammatic Perturbation Theory, Computational Techniques in Quantum Chemistry and Molecular Physics, Editors: Berchtesgaden, Pages: 436-503, ISBN: 9789027705884
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