Imperial College London

Professor Henry S. Rzepa

Faculty of Natural SciencesDepartment of Chemistry

Emeritus Professor of Computational Chemistry
 
 
 
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Contact

 

+44 (0)7514 623 653h.rzepa Website

 
 
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Location

 

501AMolecular Sciences Research HubWhite City Campus

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Summary

 

Publications

Publication Type
Year
to

462 results found

OHagan D, Rzepa HS, 1997, Some influences of fluorine in bioorganic chemistry, Chemical Communications, Pages: 645-652, ISSN: 1359-7345

Journal article

Whitnall MR, Hii KKM, Thornton-Pett M, Kee TPet al., 1997, Conformational Diastereoisomerisation in tris-(2-alkylimino)triphenylphosphines, Journal of Organometallic Chemistry, Vol: 529

Journal article

Hii KK, Kee TP, 1996, Nitrogen, phosphorus, arsenic, antimony and bismuth, Annual Reports on the Progress of Chemistry - Section A, Vol: 92, Pages: 71-89, ISSN: 0260-1818

Journal article

Abbotto A, Bradamante S, Capri N, Rzepa HS, Williams DJ, White Aet al., 1996, Diheteroarylmethanes .6. Probing the electron-withdrawing rank of heteroaryl groups by conformational studies of push-pull ethylenes. Isolation of NH-enamine tautomers of alpha,alpha- diheteroarylacetaldehydes (heteroaryl equals 2-benzoxazolyl, 2- benzothiazolyl), Journal of Organic Chemistry, Vol: 61, Pages: 1770-1778, ISSN: 0022-3263

Journal article

Casher O, Rzepa HS, Ihlenfeldt WD, 1996, VRML usage, Chemical & Engineering News, Vol: 74, ISSN: 0009-2347

Journal article

Casher O, Leach C, Page CS, Rzepa HSet al., 1996, Advanced VRML based chemistry applications: A 3D molecular hyperglossary, Theochem-Journal of Molecular Structure, Vol: 368, Pages: 49-55, ISSN: 0166-1280

Journal article

Hii KK, Kee TP, 1995, Chapter 6. Nitrogen, phosphorus, arsenic, antimony and bismuth, Annual Reports Section "A" (Inorganic Chemistry), Vol: 92, Pages: 71-89, ISSN: 0260-1818

Journal article

CASHER O, RZEPA HS, 1995, CHEMICAL COLLABORATORIES USING WORLD-WIDE-WEB SERVERS AND EYECHEM-BASED VIEWERS, JOURNAL OF MOLECULAR GRAPHICS, Vol: 13, Pages: 268-270, ISSN: 0263-7855

Journal article

WINTER MJ, RZEPA HS, WHITAKER BJ, 1995, SURFING THE CHEMICAL NET, CHEMISTRY IN BRITAIN, Vol: 31, Pages: 685-689, ISSN: 0009-3106

Journal article

MURRAYRUST P, LEACH C, RZEPA HS, 1995, CHEMICAL MARKUP LANGUAGE, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 210, Pages: 40-COMP, ISSN: 0065-7727

Journal article

RZEPA HS, LEACH C, 1995, THE FUTURE OF CHEMISTRY AND THE WORLD-SIDE WEB, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 210, Pages: 20-COMP, ISSN: 0065-7727

Journal article

BACHRACH SM, PIERCE TH, RZEPA HS, 1995, CHEMISTRY ON THE INTERNET - THE BEST OF THE WEB, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 210, Pages: 38-COMP, ISSN: 0065-7727

Journal article

RZEPA HS, CASHER O, 1995, CHEMICAL COLLABORATORIES AND THE WORLD-WIDE-WEB, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, Vol: 210, Pages: 134-COMP, ISSN: 0065-7727

Journal article

Abbotto A, Bradamante S, Pagani GA, Rzepa H, Stoppa Fet al., 1995, Bispyridyl- and bisquinolylmethanes. Nmr-based charge mapping of the carbanions and metal ligand properties, Heterocycles, Vol: 40, Pages: 757-776, ISSN: 0385-5414

Nmr evidence is obtained for mixtures of geometrical stereoisomers of carbanions in DMSO solution of bis(4-)- and bis(2-pyridyl)methane (1) and (2), bis(2-pyridyl)acetonitrile (3), and bis(2-quinolyl)methane (4). When incorporated into π-charge/shift relationships the 13C and 15N nmr data provide access to charge demands cx of the heterocycles, that is the fraction of π-charge withdrawn by the rings from the carbanionic carbon. Compounds(3)and(4)behave as ligands LH, whose anions L- produce neutral chelates with divalent metal ions (Met = Zn2+, Pd2+). With Met = Co2+, Cu2+, Mn2+ the ligand LH 3 affords the dimer L2. © 1995.

Journal article

CHIN WS, MOK CY, HUANG HH, RZEPA HSet al., 1995, PHOTOELECTRON SPECTROSCOPIC STUDY OF THE THERMAL-DECOMPOSITION OF 2-PYRROLIDINONE AND 2-PYRROLIDINETHIONE, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, Pages: 427-430, ISSN: 0300-9580

Journal article

BROUGHTON HB, GREEN SM, RZEPA HS, 1995, STUDIES OF IMIDAZOLE AND PYRAZOLE PROTONATION USING ELECTROSTATICALLY TRAINED NEURAL NETWORKS, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, Pages: 431-435, ISSN: 1472-779X

Journal article

RZEPA HS, 1995, THE FUTURE OF ELECTRONIC JOURNALS IN CHEMISTRY, TRAC-TRENDS IN ANALYTICAL CHEMISTRY, Vol: 14, Pages: 464-467, ISSN: 0165-9936

Journal article

Rzepa HS, 1995, The World-Wide Web information system: chemical chaos or global scientific enabler?, Laboratory Automation and Information Management, Vol: 31, Pages: 47-52, ISSN: 1381-141X

A proposed Internet based standard based on primary chemical MIME types used in conjunction with the World-Wide Web information delivery systems allows molecular structural and spectroscopic information to be transparently integrated into scientific publications, providing unparalleled access and control for the user. Examples of "hyperactive molecules" from the areas of organic synthesis, quantitative structural modelling, molecular dynamics, crystallography, NMR and mass spectrometry are discussed. The implications of these mechanisms for scientific publication in general, the impact on the quality and reproducibility of published experimental data and the enhancement of serendipitous discoveries are discussed. © 1995.

Journal article

RZEPA HS, 1995, ELECTRONIC CHEMISTRY CONFERENCES, TRAC-TRENDS IN ANALYTICAL CHEMISTRY, Vol: 14, Pages: 240-242, ISSN: 0165-9936

Journal article

CASHER O, CHANDRAMOHAN GK, HARGREAVES MJ, LEACH C, MURRAYRUST P, RZEPA HS, SAYLE R, WHITAKER BJet al., 1995, HYPERACTIVE MOLECULES AND THE WORLD-WIDE-WEB INFORMATION-SYSTEM, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, Pages: 7-11, ISSN: 0300-9580

Journal article

Chaves HT, Lobo AM, Prabhakar S, Rzepa HSet al., 1995, Theoretical mechanistic investigation of asymmetric aziridination by N-aryl-O-acylhydroxylamines, 1st European Conference on Computational Chemistry, Publisher: AIP PRESS, Pages: 140-144, ISSN: 0094-243X

Conference paper

Hii KK, Kee TP, 1994, Nitrogen, phosphorus, arsenic, antimony, and bismuth, Annual Reports Section "a" (Inorganic Chemistry), Vol: 91, Pages: 67-91, ISSN: 0260-1818

Journal article

Henry Rzepa, 1994, WWW94 Chemistry Workshop, Computer Networks and ISDN Systems, Vol: 27, Pages: 317-340, ISSN: 0169-7552

Journal article

OHAGAN D, RZEPA HS, 1994, STEREOSPECIFIC CONTROL OF THE CITRATE SYNTHASE MEDIATED SYNTHESIS OF (2R,3R)-3-FLUOROCITRATE BY THE RELATIVE STABILITIES OF THE INTERMEDIATE FLUOROENOLATES, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, Pages: 2029-2030, ISSN: 0022-4936

Journal article

RZEPA HS, WHITAKER BJ, WINTER MJ, 1994, CHEMICAL APPLICATIONS OF THE WORLD-WIDE-WEB SYSTEM, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, Pages: 1907-1910, ISSN: 0022-4936

Journal article

CASHER O, GREEN SM, RZEPA HS, 1994, EYECHEM-1.0 - A MODULAR CHEMISTRY TOOLKIT FOR COLLABORATIVE MOLECULAR VISUALIZATION, JOURNAL OF MOLECULAR GRAPHICS, Vol: 12, Pages: 226-230, ISSN: 0263-7855

Journal article

PLATER MJ, RZEPA HS, STOSSEL S, 1994, SCF-MO STUDY OF THE DIMERIZATION REACTION OF HEMIFULLERENE (C30H12) TO THE POTENTIAL FULLERENE PRECURSOR C60H24, JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, Pages: 1567-1568, ISSN: 0022-4936

Journal article

RZEPA HS, SUNER GA, 1994, THEORETICAL-STUDY OF THE SOLVATOCHROMIC PROPERTIES OF RHODAMINES USING THE AM1 AND PM3 COSMO SOLVATION MODEL, JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, Pages: 1397-1398, ISSN: 0300-9580

Journal article

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