Imperial College London
Alternate

Professor Mike Robb, FRS

Faculty of Natural Sciences, Department of Chemistry

Chair in Chemistry
 
 
 
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Contact

 

+44 (0)20 7594 5757mike.robb Website

 
 
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Location

 

301cMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Publication Type
Year
to

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

Journal article

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

Journal article

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

Journal article

BERNARDI F, BOTTONI A, MCDOUALL JJW, ROBB MA, SCHLEGEL HBet al., 1984, MCSCF GRADIENT CALCULATION OF TRANSITION STRUCTURES IN ORGANIC-REACTIONS, FARADAY SYMPOSIA OF THE CHEMICAL SOCIETY, Pages: 137-147, ISSN: 0301-5696

Journal article

THEODORAKOPOULOS G, PETSALAKIS ID, CSIZMADIA IG, ROBB MAet 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

Journal article

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

Journal article

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

Journal article

KOZMUTZA C, KAPUY E, ROBB MA, DAUDEL R, CSIZMADIA IGet 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

Journal article

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

Journal article

STRAUSZ OP, KAPUY E, KOZMUTZA C, ROBB MA, CSIZMADIA IGet 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

Journal article

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

Journal article

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

Journal article

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

Journal article

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

Journal article

BAKER H, HEGARTY D, ROBB MA, 1980, AN ENERGY-INDEPENDENT EFFECTIVE HAMILTONIAN FOR ETHYLENE, MOLECULAR PHYSICS, Vol: 41, Pages: 653-668, ISSN: 0026-8976

Journal article

BERNARDI F, ROBB MA, TONACHINI G, 1979, CORRELATION EFFECTS IN CONFORMATIONAL PROBLEMS, CHEMICAL PHYSICS LETTERS, Vol: 66, Pages: 195-198, ISSN: 0009-2614

Journal article

HEGARTY D, ROBB MA, 1979, APPLICATION OF UNITARY GROUP-METHODS TO CONFIGURATION-INTERACTION CALCULATIONS, MOLECULAR PHYSICS, Vol: 38, Pages: 1795-1812, ISSN: 0026-8976

Journal article

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

Journal article

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

Journal article

MEZEY PG, ROBB MA, YATES K, CSIZMADIA IGet al., 1978, INSTABILITY OF PLANAR STRUCTURE OF CARBANION (-)-CH2-CN, THEORETICA CHIMICA ACTA, Vol: 49, Pages: 277-281, ISSN: 0040-5744

Journal article

STRAUSZ OP, KOZMUTZA C, KAPUY E, ROBB MA, THEODORAKOPOULOS G, CSIZMADIA IGet 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

Journal article

ALTMANN JA, CSIZMADIA IG, ROBB MA, YATES K, YATES Pet 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

Journal article

EADE RHA, ROBB MA, THEODORAKOPOULOS G, CSIZMADIA Iet al., 1977, CALCULATION OF SULFUR L(S2P)-MM AUGER ENERGIES OF H2S, CHEMICAL PHYSICS LETTERS, Vol: 52, Pages: 526-529, ISSN: 0009-2614

Journal article

STRAUSZ OP, ROBB MA, THEODORAKOPOULOS G, MEZEY PG, CSIZMADIA IGet al., 1977, CALCULATIONS ON SINGLET-TRIPLET ENERGY SEPARATIONS OF SILAETHYLENE, CHEMICAL PHYSICS LETTERS, Vol: 48, Pages: 162-165, ISSN: 0009-2614

Journal article

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

Journal article

THEODORAKOPOULOS G, CSIZMADIA IG, ROBB MA, KUCSMAN A, KAPOVITS Iet 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

Journal article

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

Journal article

GOSAVI RK, STRAUSZ OP, GAMMIE L, ROBB MA, THEODORAKOPOULOS G, MEZEY PG, CSIZMADIA IGet 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

Journal article

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

Journal article

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

Book chapter

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