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1

Computational Chemistry Volume 98 || The Concept of the Potential Energy Surface

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 984 KB

english, 2011

2

Mathematical Physics in Theoretical Chemistry || Personal computers in computational chemistry

Year:

2019

Language:

english

File:

PDF, 965 KB

english, 2019

3

Ketene: Ion chemistry and proton affinity

Gary B. Debrou, John E. Fulford, Errol G. Lewars, Raymond E. March

Journal:

International Journal of Mass Spectrometry and Ion Physics

Year:

1978

Language:

english

File:

PDF, 541 KB

english, 1978

4

A comparison of flavonoid glycosides by electrospray tandem mass spectrometry

Raymond E. March, Errol G. Lewars, Christopher J. Stadey, Xiu-Sheng Miao, Xiaoming Zhao, Chris D. Metcalfe

Journal:

International Journal of Mass Spectrometry

Year:

2006

Language:

english

File:

PDF, 1.21 MB

english, 2006

5

The bonding of nitrosonium ion to sulfur in models of cytochrome c-type biomolecules: an ab initio computational study

Chris Delamere, Errol Lewars, Steven Rafferty

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 276 KB

english, 2002

6

Pyridine N-oxide and pyridine-d5N-oxide: an electrospray/tandem mass spectrometric study carried out at high mass resolution

Raymond E. March, Christopher J. Stadey, Errol G. Lewars

Journal:

Rapid Communications in Mass Spectrometry

Year:

2005

Language:

english

File:

PDF, 417 KB

english, 2005

7

A combined nuclear magnetic resonance and computational study of monohydroxyflavones applied to product ion mass spectra

Darcy C. Burns, David A. Ellis, Hongxia Li, Errol G. Lewars, Raymond E. March

Journal:

Rapid Communications in Mass Spectrometry

Year:

2007

Language:

english

File:

PDF, 428 KB

english, 2007

8

Fragmentation of 3-hydroxyflavone; a computational and mass spectrometric study

Errol G. Lewars, Raymond E. March

Journal:

Rapid Communications in Mass Spectrometry

Year:

2007

Language:

english

File:

PDF, 269 KB

english, 2007

9

Computational Chemistry Volume 98 || An Outline of What Computational Chemistry Is All About

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 65 KB

english, 2011

10

Computational Chemistry Volume 129 || Introduction to Quantum Mechanics in Computational Chemistry

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 1.23 MB

english, 2011

11

Computational Chemistry Volume 129 || Ab initio Calculations

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 3.10 MB

english, 2011

12

Computational Chemistry Volume 599 || || Front_matter

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 657 KB

english, 2011

13

Computational Chemistry Volume 599 || Some “Special” Topics: Solvation, Singlet Diradicals, A Note on Heavy Atoms and Transition Metals

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 691 KB

english, 2011

14

Computational Chemistry Volume 98 || Molecular Mechanics

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 726 KB

english, 2011

15

Computational Chemistry Volume 599 || Density Functional Calculations

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 887 KB

english, 2011

16

Computational Chemistry Volume 599 || Selected Literature Highlights, Books, Websites, Software and Hardware

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 375 KB

english, 2011

17

Computational Chemistry Volume 129 || Semiempirical Calculations

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 722 KB

english, 2011

18

Vibrational spectrum of the acetone-water complex: a matrix isolation FTIR and theoretical study

Zhang, Xiaokui K., Lewars, Errol G., March, Raymond E., Parnis, J. Mark

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 802 KB

english, 1993

19

Benzooxirene. Ab initio calculations

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 928 KB

english, 1996

20

Polymers and oligomers of carbon dioxide: ab initio and semiempirical calculations

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1996

Language:

english

File:

PDF, 982 KB

english, 1996

21

The quinones of bicyclo[3.1.0]hexatriene: A computational study of their chemistry and thermochemistry

Aimé Kayembe, Errol Lewars, Joel F. Liebman

Journal:

The Journal of Chemical Thermodynamics

Year:

2012

Language:

english

File:

PDF, 711 KB

english, 2012

22

Push-pull substitution evidently does not stabilize the oxirene system: an AM1 and ab initio study

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 794 KB

english, 1997

23

The effect of substituents on the thermodynamic and kinetic stabilities of alkynols: a semiempirical and ab initio survey of the effect of H, Li, BeH, BH2, CH3, NH2, OH and F

Errol Lewars, Ian Bonnycastle

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 1.10 MB

english, 1997

24

Pyramidane: an ab initio study of the C5H4 potential energy surface

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 506 KB

english, 1998

25

The isomers of dichloromethane and its radical cation: an ab initio exploration of the neutral and charged CH2Cl2 potential energy surfaces

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 1.39 MB

english, 1998

26

Oxirenes

Lewars, Errol G.

Journal:

Chemical Reviews

Year:

1983

Language:

english

File:

PDF, 2.29 MB

english, 1983

27

What are the enthalpy of formation and the stabilization energy of acrolein?

Errol Lewars, Joel F. Liebman

Journal:

Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 168 KB

english, 2013

28

The Quinones of Benzocyclobutadiene: A Computational Study

Golas, Ewa, Lewars, Errol, F. Liebman, Joel

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 839 KB

english, 2009

29

Modeling Marvels || Nitrogen Oligomers and Polymers: Superfuels or Chimeras?

Lewars, Errol G.

Year:

2008

Language:

english

File:

PDF, 767 KB

english, 2008

30

Modeling Marvels ||

Lewars, Errol G.

Year:

2008

Language:

english

File:

PDF, 7.66 MB

english, 2008

31

Computational Chemistry ||

Lewars, Errol G.

Year:

2011

Language:

english

File:

PDF, 657 KB

english, 2011

32

Modeling Marvels || Tetrahedrane

Lewars, Errol G.

Year:

2008

Language:

english

File:

PDF, 874 KB

english, 2008

33

Modeling Marvels || Helium Compounds

Lewars, Errol G.

Year:

2008

Language:

english

File:

PDF, 613 KB

english, 2008

34

Observation of the π···H Hydrogen-Bonded Ternary Complex, (C 2 H 4 ) 2 H 2 O, Using Matrix Isolation Infrared Spectroscopy

Thompson, Matthew G. K., Lewars, Errol G., Parnis, J. Mark

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 147 KB

english, 2005

35

Dehalogenation of a vic-dichloro epoxide to give a product expected from formation of an oxo carbene ("ketocarbene")

Lewars, Errol, Siddiqi, Suhaib

Journal:

Journal of Organic Chemistry

Year:

1985

Language:

english

File:

PDF, 326 KB

english, 1985

36

Orthogonene Redux: A Nearly Orthogonal Alkene Predicted to Exhibit Considerable Stability. A Computational Study

Lewars, Errol G.

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 121 KB

english, 2005

37

A re-investigation of the structure of a putative dibenzo[a,e]cyclo-octenetrione

Yates, Peter, Lewars, Errol

Journal:

Chemical Communications (London)

Year:

1967

Language:

english

File:

PDF, 146 KB

english, 1967

38

Organic Sulfur Mechanisms. 13. Sulfene Formation by a Reverse Diels–Alder Reaction

King, James Frederick, Lewars, Errol George

Journal:

Canadian Journal of Chemistry

Year:

1973

Language:

english

File:

PDF, 497 KB

english, 1973

39

Cyclooctatetraenoquinones. II. The synthesis and transformations of compounds related to dibenzo[ a , e ]cyclooctene-5,6,11(12 H )-trione

Yates, Peter, Lewars, Errol G.

Journal:

Canadian Journal of Chemistry

Year:

1970

Language:

english

File:

PDF, 465 KB

english, 1970

40

Organic Sulfur Mechanisms. 16. Competing Reverse Diels–Alder and Desulfonylation–Rearrangement Reactions in the Thermolysis of a Cyclic Sulfone

King, James Frederick, Enanoza, Rudyard Mendiola, Lewars, Errol George

Journal:

Canadian Journal of Chemistry

Year:

1974

Language:

english

File:

PDF, 259 KB

english, 1974

41

Azatropolones. Part II. The Schmidt Reaction of 2-Methoxy-5-methylbenzoquinone

Hughes, Colin G., Lewars, Errol G., Rees, Alun H.

Journal:

Canadian Journal of Chemistry

Year:

1974

Language:

english

File:

PDF, 217 KB

english, 1974

42

FTIR spectroscopic investigation of matrix-isolated isomerization and decomposition products of ionized acetone: generation and characterization of 1-propen-2-ol

Zhang, Xiaokui K., Parnis, J. Mark, Lewars, Errol G., March, Raymond E.

Journal:

Canadian Journal of Chemistry

Year:

1997

Language:

english

File:

PDF, 155 KB

english, 1997

43

Cyclooctatetraenoquinones. I The synthesis and structure of dibenzo[ a , e ]cyclooctene-5,6-dione

Yates, Peter, Lewars, Errol G., McCabe, Peter H.

Journal:

Canadian Journal of Chemistry

Year:

1970

Language:

english

File:

PDF, 402 KB

english, 1970

44

The chemistry of bowtiene (tricyclo[5.3.0.0 2,6 ]decapentaene): a computational study

Journal:

Canadian Journal of Chemistry

Year:

2014

File:

PDF, 888 KB

2014

45

Eine verbesserte Synthese des 2-Oxocyclohepta[ b ]furans

Wetzel, Arthur, Lewars, Errol G., Zeller, Klaus-Peter

Journal:

Year:

1983

File:

PDF, 127 KB

1983

46

Methylketene. Ion chemistry and proton affinity

Armitage, Mary Alison, Higgins, Michael Joseph, Lewars, Errol George, March, Raymond Evans

Journal:

Journal of the American Chemical Society

Year:

1980

Language:

english

File:

PDF, 589 KB

english, 1980

47

Computational Chemistry || Ab initio Calculations

Lewars, Errol G.

Year:

2016

Language:

english

File:

PDF, 4.66 MB

english, 2016

48

ChemInform Abstract: ORGANIC SULFUR MECHANISMS PART 16, COMPETING REVERSE DIELS-ALDER AND DESULFONYLATION-REARRANGEMENT REACTIONS IN THE THERMOLYSIS OF A CYCLIC SULFONE

KING, JAMES FREDERICK, ENANOZA, RUDYARD MENDIOLA, LEWARS, ERROL GEORGE

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 121 KB

1974

49

ChemInform Abstract: CYCLOOCTATETRAENOCHINONE 2. MITT. SYNTH. UND UMWANDLUNGEN VON MIT DIBENZO(A,E)12H-DIBENZO(A,E)CYCLOOCTEN-TRION-(5,6,11) VERWANDTEN VERBINDUNGEN

YATES, PETER, LEWARS, ERROL G.

Journal:

Chemischer Informationsdienst. Organische Chemie

Year:

1970

File:

PDF, 146 KB

1970

50

ChemInform Abstract: ORGANIC SULFUR MECHANISMS PART 13, SULFENE FORMATION BY A REVERSE DIELS-ALDER REACTION

KING, JAMES FREDERICK, LEWARS, ERROL GEORGE

Journal:

Chemischer Informationsdienst

Year:

1974

File:

PDF, 133 KB

1974