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1

Möbius Aromaticity and Delocalization

Rzepa, Henry S.

Journal:

Chemical Reviews

Year:

2005

Language:

english

File:

PDF, 1.17 MB

english, 2005

2

The Use of the Free, Open-Source Program Jmol To Generate an Interactive Web Site To Teach Molecular Symmetry

Cass, Marion E., Rzepa, Henry S., Rzepa, David R., Williams, Charlotte K.

Journal:

Journal of Chemical Education

Year:

2005

Language:

english

File:

PDF, 201 KB

english, 2005

3

Hückel and Möbius aromaticity and trimerous transition state behaviour in the pericyclic reactions of [10], [14], [16] and [18]annulenes †

Martín-Santamaría, Sonsoles, Lavan, Balasundaram, Rzepa, Henry S.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

2000

Language:

english

File:

PDF, 168 KB

english, 2000

4

Solid state and theoretical evaluation of β-fluoroethyl esters indicate a fluorine-ester gauche effect

Caroline R.S. Briggs, David O’Hagan, Henry S. Rzepa, Alexandra M.Z. Slawin

Journal:

Journal of Fluorine Chemistry

Year:

2004

Language:

english

File:

PDF, 673 KB

english, 2004

5

Quadruple bonding in C2 and analogous eight-valence electron species

Shaik, Sason, Danovich, David, Wu, Wei, Su, Peifeng, Rzepa, Henry S., Hiberty, Philippe C.

Journal:

Nature Chemistry

Year:

2012

Language:

english

File:

PDF, 700 KB

english, 2012

6

The Aromaticity of Pericyclic Reaction Transition States

Rzepa, Henry S.

Journal:

Journal of Chemical Education

Year:

2007

Language:

english

File:

PDF, 347 KB

english, 2007

7

One Molecule, Two Atoms, Three Views, Four Bonds?

Shaik, Sason, Rzepa, Henry S., Hoffmann, Roald

Journal:

Angewandte Chemie International Edition

Year:

2013

Language:

english

File:

PDF, 869 KB

english, 2013

8

Catalytic and Computational Studies of N-Heterocyclic Carbene or Phosphine-Containing Copper(I) Complexes for the Synthesis of 5-Iodo-1,2,3-Triazoles

Lal, Steven, Rzepa, Henry S., Díez-González, Silvia

Journal:

Year:

2014

Language:

english

File:

PDF, 584 KB

english, 2014

9

Ground states of molecules. 40. MNDO results for molecules containing fluorine

Dewar, Michael J. S., Rzepa, Henry S.

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 1.08 MB

english, 1978

10

Wormholes in chemical space connecting torus knot and torus link π-electron density topologies

Rzepa, Henry S.

Journal:

Physical Chemistry Chemical Physics

Year:

2009

Language:

english

File:

PDF, 784 KB

english, 2009

11

A metadata-driven approach to data repository design

Matthew J. Harvey,Andrew McLean,Henry S. Rzepa

Journal:

Journal of Cheminformatics

Year:

2017

Language:

english

File:

PDF, 2.10 MB

english, 2017

12

A Study in Mauve: Unveiling Perkin's Dye in Historic Samples

Micaela M. Sousa, Maria J. Melo, A. Jorge Parola, Peter J. T. Morris, Henry S. Rzepa, J. Sérgio Seixas de Melo

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 442 KB

english, 2008

13

Ground states of molecules. 53.MNDO calculations for molecules containing chlorine

Michael J. S. Dewar, Henry S. Rzepa

Journal:

Journal of Computational Chemistry

Year:

1983

Language:

english

File:

PDF, 693 KB

english, 1983

14

Ground states of molecules: Part XLII. Vibrational frequencies of isotopically-substituted molecules calculated using MINDO/3 force constants

Michael J.S. Dewar, Henry S. Rzepa

Journal:

Journal of Molecular Structure

Year:

1977

Language:

english

File:

PDF, 338 KB

english, 1977

15

WWW94 Chemistry Workshop

Journal:

Computer Networks and ISDN Systems

Year:

1994

Language:

english

File:

PDF, 1.72 MB

english, 1994

16

An x-ray crystallographic, mass spectroscopic, and NMR study of the limonoid insect antifeedant azadirachtin and related derivatives

John N. Bilton, Howard B. Broughton, Philip S. Jones, Steven V. Ley, Henry S. Rzepa, Richard N. Sheppard, Alexandra M.Z. Slawin, David J. Williams, Zev Lidert, E. David Morgan

Journal:

Year:

1987

Language:

english

File:

PDF, 693 KB

english, 1987

17

The importance of being bonded

Rzepa, Henry S.

Journal:

Nature Chemistry

Year:

2009

Language:

english

File:

PDF, 320 KB

english, 2009

18

The preferred conformation of α-fluoroamides

Banks, John W., Batsanov, Andrei S., Howard, Judith A. K., O’Hagan, David, Rzepa, Henry S., Martin-Santamaria, Sonsoles

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 133 KB

english, 1999

19

Studies in sigmatropic rearrangements of N-prenylindole derivatives ? a formal enantiomerically pure synthesis of tryprostatin B

Cardoso, A. Sofia P., Marques, M. Manuel B., Srinivasan, Natarajan, Prabhakar, Sundaresan, Lobo, Ana M., Rzepa, Henry S.

Journal:

Organic & Biomolecular Chemistry

Year:

2006

Language:

english

File:

PDF, 221 KB

english, 2006

20

Ground states of molecules. 45. MNDO results for molecules containing beryllium

Dewar, Michael J. S., Rzepa, Henry S.

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 914 KB

english, 1978

21

Geometry optimisation at the semiempirical self-consistent-reaction-field level using the AMPAC and MOPAC programs

Rzepa, Henry S., Yi, Man Yin, Karelson, Mati M., Zerner, Michael C.

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1991

Language:

english

File:

PDF, 331 KB

english, 1991

22

A Double-Twist Möbius-Aromatic Conformation of [14]Annulene

Rzepa, Henry S.

Journal:

Organic Letters

Year:

2005

Language:

english

File:

PDF, 90 KB

english, 2005

23

Equilibrium between a cyclotrisilene and an isolable base adduct of a disilenyl silylene

Cowley, Michael J., Huch, Volker, Rzepa, Henry S., Scheschkewitz, David

Journal:

Nature Chemistry

Year:

2013

Language:

english

File:

PDF, 1.32 MB

english, 2013

24

Ground states of molecules. 51. MNDO (modified neglect of diatomic overlap) calculations of kinetic isotope effects

Brown, S. Bruce, Dewar, Michael J. S., Ford, George P., Nelson, Donna J., Rzepa, Henry S.

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 517 KB

english, 1978

25

Ground states of molecules. 52. A MNDO SCF-MO study of the coordination of beryllium-indenyl and -fluorenyl complexes

Dewar, Michael J. S., Rzepa, Henry S.

Journal:

Inorganic Chemistry

Year:

1979

Language:

english

File:

PDF, 543 KB

english, 1979

26

Contraction and Expansion of the Silicon Scaffold of Stable Si 6 R 6 Isomers

Abersfelder, Kai, Russell, Adam, Rzepa, Henry S., White, Andrew J. P., Haycock, Peter R., Scheschkewitz, David

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 2.72 MB

english, 2012

27

Ground states of molecules. 49. MINDO/3 study of the retro-Diels-Alder reaction of cyclohexene

Dewar, Michael J. S., Olivella, Santiago, Rzepa, Henry S.

Journal:

Journal of the American Chemical Society

Year:

1978

Language:

english

File:

PDF, 1.30 MB

english, 1978

28

Ground states of molecules. 34. MINDO/3 calculations for nonclassical ions

Dewar, Michael J. S., Haddon, Robert C., Komornicki, Andrew, Rzepa, Henry

Journal:

Journal of the American Chemical Society

Year:

1977

Language:

english

File:

PDF, 1.04 MB

english, 1977

29

Addendum: The importance of being bonded

Rzepa, Henry S.

Journal:

Nature Chemistry

Year:

2014

Language:

english

File:

PDF, 525 KB

english, 2014

30

Addendum: The rational design of helium bonds

Rzepa, Henry S.

Journal:

Nature Chemistry

Year:

2014

Language:

english

File:

PDF, 525 KB

english, 2014

31

Crocker, Not Armit and Robinson, Begat the Six Aromatic Electrons

Balaban, Alexandru T., Schleyer, Paul v. R., Rzepa, Henry S.

Journal:

Chemical Reviews

Year:

2005

Language:

english

File:

PDF, 1.08 MB

english, 2005

32

Correlation of Metal Spin State with Catalytic Reactivity: Polymerizations Mediated by α-Diimine–Iron Complexes

Michael P. Shaver, Laura E. N. Allan, Henry S. Rzepa, Vernon C. Gibson

Journal:

Angewandte Chemie

Year:

2006

Language:

english

File:

PDF, 153 KB

english, 2006

33

Ringströme im dismutationsaromatischen Si6R6

Dr. Raphael J. F. Berger, Prof. Henry S. Rzepa, Dr. David Scheschkewitz

Journal:

Angewandte Chemie

Year:

2010

Language:

german

File:

PDF, 486 KB

german, 2010

34

Ein stabiles Derivat des globalen Minimums der Si6H6-Potentialhyperfläche

Kai Abersfelder, Dr. Andrew J. P. White, Dr. Raphael J. F. Berger, Prof. Dr. Henry S. Rzepa, Prof. Dr. David Scheschkewitz

Journal:

Angewandte Chemie

Year:

2011

Language:

german

File:

PDF, 814 KB

german, 2011

35

Correlation of Metal Spin State with Catalytic Reactivity: Polymerizations Mediated by α-Diimine–Iron Complexes

Michael P. Shaver, Laura E. N. Allan, Henry S. Rzepa, Vernon C. Gibson

Journal:

Angewandte Chemie International Edition

Year:

2006

Language:

english

File:

PDF, 154 KB

english, 2006

36

Ring Currents in the Dismutational Aromatic Si6R6

Dr. Raphael J. F. Berger, Prof. Henry S. Rzepa, Dr. David Scheschkewitz

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 504 KB

english, 2010

37

A Stable Derivative of the Global Minimum on the Si6H6 Potential Energy Surface

Kai Abersfelder, Dr. Andrew J. P. White, Dr. Raphael J. F. Berger, Prof. Dr. Henry S. Rzepa, Prof. Dr. David Scheschkewitz

Journal:

Angewandte Chemie International Edition

Year:

2011

Language:

english

File:

PDF, 794 KB

english, 2011

38

Enantiomerically Pure Alleno–Acetylenic Macrocycles: Synthesis, Solid-State Structures, Chiroptical Properties, and Electron Localization Function Analysis

Pablo Rivera-Fuentes, José Lorenzo Alonso-Gómez, Ana G. Petrovic, Paul Seiler, Fabrizio Santoro, Nobuyuki Harada, Nina Berova, Henry S. Rzepa, François Diederich

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 859 KB

english, 2010

39

Inside Cover: Enantiomerically Pure Alleno–Acetylenic Macrocycles: Synthesis, Solid-State Structures, Chiroptical Properties, and Electron Localization Function Analysis (Chem. Eur. J. 32/2010)

Pablo Rivera-Fuentes, José Lorenzo Alonso-Gómez, Ana G. Petrovic, Paul Seiler, Fabrizio Santoro, Nobuyuki Harada, Nina Berova, Henry S. Rzepa, François Diederich

Journal:

Chemistry - A European Journal

Year:

2010

Language:

english

File:

PDF, 519 KB

english, 2010

40

ChemInform Abstract: The Preferred Conformation of α-Fluoroamides.

John W. Banks, Andrei S. Batsanov, Judith A. K. Howard, David O'Hagan, Henry S. Rzepa, Sonsoles Martin-Santamaria

Journal:

Year:

2000

File:

PDF, 32 KB

2000

41

Aromaticity on the Edge of Chaos: An ab initio Study of the Bimodal Balance Between Aromatic and Non-aromatic Structures for 10π-Dihetero[8]annulenes

Henry S. Rzepa, Nikola Sanderson

Journal:

Year:

2004

File:

PDF, 57 KB

2004

42

Representation and Use of Chemistry in the Global Electronic Age.

Peter Murray-Rust, Henry S. Rzepa, Simon M. Tyrrell, Yong Zhang

Journal:

Year:

2005

File:

PDF, 8 KB

2005

43

Crocker, Not Armit and Robinson, Begat the Six Aromatic Electrons

Alexandru T. Balaban, Paul von Rague Schleyer, Henry S. Rzepa

Journal:

Year:

2006

File:

PDF, 8 KB

2006

44

Moebius Aromaticity and Delocalization

Journal:

Year:

2006

File:

PDF, 8 KB

2006

45

ChemInform Abstract: Unusual Regiodivergence in Metal-Catalyzed Intramolecular Cyclization of γ-Allenols.

Jannine L. Arbour, Henry S. Rzepa, Andrew J. P. White, King Kuok Hii

Journal:

Year:

2010

File:

PDF, 38 KB

2010

46

ChemInform Abstract: Stereoselective Synthesis of cis- and trans-2,3-Disubstituted Tetrahydrofurans via Oxonium—Prins Cyclization: Access to the Cordigol Ring System.

Alan C. Spivey, Luca Laraia, Andrew R. Bayly, Henry S. Rzepa, Andrew J. P. White

Journal:

Year:

2010

File:

PDF, 38 KB

2010

47

π-Facial hydrogen bonding in the chiral resolving agent 2,2,2-trifluoro-1-(9-anthryl)-ethanol and its racemic modification

Dr. Michael L. Webb, Henry S. Rzepa

Journal:

Year:

1994

Language:

english

File:

PDF, 362 KB

english, 1994

48

An MNDO study of the structures, vibrational frequencies, and ionization energies of the first five poly-ynes

Michael J.S. Dewar, George P. Ford, Henry S. Rzepa

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 299 KB

english, 1977

49

MNDO study of ozone and its decomposition into (O2 + 0)

Michael J.S. Dewar, Santiago Olivella, Henry S. Rzepa

Journal:

Chemical Physics Letters

Year:

1977

Language:

english

File:

PDF, 472 KB

english, 1977

50

Semiempirical calculations of molecular vibrational frequencies: The MNDO method

Michael J.S. Dewar, George P. Ford, Michael L. McKee, Henry S. Rzepa, Walter Thiel, Yukio Yamaguchi

Journal:

Journal of Molecular Structure

Year:

1978

Language:

english

File:

PDF, 466 KB

english, 1978