Einar Uggerud: search on Z-Library

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1

Nucleophilic identity substitution reactions. The reaction between water and protonated alcoholsPart I. For Part II, see following paper (DOI: 10.1039/b302270f).Electronic supplementary information (ESI) available: Cartesian co-ordinates for all species together with analytical imaginary frequencies for the transition structures. See http://www.rsc.org/suppdata/ob/b3/b302268d/

Laerdahl, Jon K., Uggerud, Einar

Journal:

Organic & Biomolecular Chemistry

Year:

2003

Language:

english

File:

PDF, 509 KB

english, 2003

2

Unimolecular dissociation of anions derived from succinic acid (H 2 Su) in the gas phase: HSu − and ClMgSu − . Relationship to CO 2 fixation

Jestilä, Joakim S, Uggerud, Einar

Journal:

European Journal of Mass Spectrometry

Year:

2018

Language:

english

File:

PDF, 743 KB

english, 2018

3

Gas phase nucleophilic substitution

Jon K. Laerdahl, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 262 KB

english, 2002

4

Inorganic Mass Spectrometry. Principles and Applications. Von Johanna Sabine Becker.

Journal:

Angewandte Chemie

Year:

2008

Language:

german

File:

PDF, 242 KB

german, 2008

5

Mechanisms of catalytic dehydrogenation of alkanes by rhodium clusters Rhn+ probed by isotope labelling

Christian Adlhart, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

2006

Language:

english

File:

PDF, 264 KB

english, 2006

6

Mechanochemistry: The Effect of Dynamics

Smalø, Hans S., Rybkin, Vladimir V., Klopper, Wim, Helgaker, Trygve, Uggerud, Einar

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.61 MB

english, 2014

7

The unimolecular dissociation of the glyoxylate, pyruvate, trifluoropyruvate, and α-oxobutyrate anions. Decarboxylation vs. decarbonylation of simple α-ketocarboxylates

Miller, Glenn B.S., Uggerud, Einar

Journal:

International Journal of Mass Spectrometry

Year:

2016

Language:

english

File:

PDF, 2.72 MB

english, 2016

8

Dissociation of Mg(II) and Zn(II) complexes of simple 2-oxocarboxylates – relationship to CO 2 fixation, and the Grignard and Barbier reactions

Miller, Glenn Bruce Sangolt, Uggerud, Einar

Journal:

Organic & Biomolecular Chemistry

Year:

2017

Language:

english

File:

PDF, 12.23 MB

english, 2017

9

Ring opening vs. direct bond scission of the chain in polymeric triazoles under the influence of an external force

Smalø, Hans S., Uggerud, Einar

Journal:

Chemical Communications

Year:

2012

Language:

english

File:

PDF, 1.25 MB

english, 2012

10

On the cleavage of the peroxide OO bond in methyl hydroperoxide and dimethyl peroxide upon protonation

Christoph A. Schalley, Martin Dieterle, Detlef Schröder, Helmut Schwarz, Einar Uggerud

Journal:

International Journal of Mass Spectrometry and Ion Processes

Year:

1997

Language:

english

File:

PDF, 1.31 MB

english, 1997

11

The unimolecular chemistry of protonated hydroxylamine

Elisabeth Leere Øiestad, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

1999

Language:

english

File:

PDF, 300 KB

english, 1999

12

Mechanisms of reactions between ammonia and methylene oxonium ions: immonium ion formation versus transfer of the oxygen substituent

Lihn Bache-Andreassen, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

2000

Language:

english

File:

PDF, 257 KB

english, 2000

13

Unimolecular Reactions of Protonated Hydrogen Peroxide: A Quantum Chemical Survey

Øiestad, Elisabeth Leere, Harvey, Jeremy N., Uggerud, Einar

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 93 KB

english, 2000

14

Simulation of the Kinetics of a Chemical System as a Method for Determination of Rate Constants from Experimental Data

Saastad, Ole W, Uggerud, Einar

Journal:

Physica Scripta

Year:

1991

Language:

english

File:

PDF, 340 KB

english, 1991

15

Inter- and intramolecular O–H⋯π hydrogen bonding in the methanol–ethene complex and syn-7-norbornenol, probed by IR, 1H NMR and quantum chemistry

Leif H. Bjerkeseth, Jan M. Bakke, Einar Uggerud

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 371 KB

english, 2001

16

An Investigation of the Acidic Properties of the Methyl Cation and Its Possible Role as a Hydrogen Bond Donor. Characterization of Complexes of the Type [H2C-H+.cntdot..cntdot..cntdot.B] (B = NH3, H2O, and HF)

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 853 KB

english, 1994

17

Nucleophilic addition/elimination on substituted methyl cations. Analysis of factors that affect thermochemistry and barrier heights

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1996

Language:

english

File:

PDF, 683 KB

english, 1996

18

Reaction dynamics simulations of the identity SN2 reaction H2O + HOOH2+→ H2OOH++ H2O. Requirements for reaction and competition with proton transfer

Adlhart, Christian, Uggerud, Einar

Journal:

Physical Chemistry Chemical Physics

Year:

2006

Language:

english

File:

PDF, 683 KB

english, 2006

19

Oxidation of NO • by the small oxygen species HO 2− and O 2•− : The role of negative charge, electronic spin and water solvation.

Ryding, Mauritz Johan, Fernandez, Israel, Uggerud, Einar

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 4.82 MB

english, 2016

20

Nucleophilicity—Periodic Trends and Connection to Basicity

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 193 KB

english, 2006

21

Gas phase reactivity of small cationic cobalt clusters towards methanol

Åse Marit Leere Øiestad, Einar Uggerud

Journal:

Chemical Physics

Year:

2000

Language:

english

File:

PDF, 131 KB

english, 2000

22

Assessment of theoretical methods for the determination of the mechanochemical strength of covalent bonds

Iozzi, Maria Francesca, Helgaker, Trygve, Uggerud, Einar

Journal:

Molecular Physics

Year:

2009

Language:

english

File:

PDF, 244 KB

english, 2009

23

Conclusive Evidence for Two Unimolecular Pathways to Zeolite-Catalyzed De-alkylation of the Heptamethylbenzenium Cation

Westgård Erichsen, Marius, Mortén, Magnus, Svelle, Stian, Sekiguchi, Osamu, Uggerud, Einar, Olsbye, Unni

Journal:

Year:

2015

Language:

english

File:

PDF, 894 KB

english, 2015

24

Reactions between microhydrated superoxide anions and formic acid

Ryding, Mauritz Johan, Fernández, Israel, Uggerud, Einar

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.42 MB

english, 2017

25

[Advances in Physical Organic Chemistry] || The Factors Determining Reactivity in Nucleophilic Substitution

Year:

2017

Language:

english

File:

PDF, 813 KB

english, 2017

26

Nonpolar Dihydrogen Bonds—On a Gliding Scale from Weak Dihydrogen Interaction to Covalent HH in Symmetric Radical Cations [HnE-H-H-EHn]+

Andreas Krapp, Gernot Frenking, Einar Uggerud

Journal:

Chemistry - A European Journal

Year:

2008

Language:

english

File:

PDF, 371 KB

english, 2008

27

The Unimolecular Chemistry of Protonated Glycinamide and the Proton Affinity of Glycinamide—Mass Spectrometric Experiments and Theoretical Model

Prof. Dr. Einar Uggerud, Prof. Dr. Georg Hvistendahl, Bård Rasmussen, Dr. Robin D. Kinser, Prof. Dr. Douglas P. Ridge

Journal:

Chemistry - A European Journal

Year:

1996

Language:

english

File:

PDF, 802 KB

english, 1996

28

Loss of HF from C2H4FO+ produced from 2-hydroxy-2-trifluoromethylpropanoic acid upon electron ionization

Osamu Sekiguchi, Daisuke Watanabe, Satoshi Nakajima, Susumu Tajima, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

2003

Language:

english

File:

PDF, 232 KB

english, 2003

29

Alkali cation regulation of the dissociation and hydrobromination of a deprotonated trideoxynucleotide

Janna Anichina, Andreas Krapp, Einar Uggerud, Diethard K. Bohme

Journal:

International Journal of Mass Spectrometry

Year:

2011

Language:

english

File:

PDF, 1018 KB

english, 2011

30

Reactivity in Nucleophilic Vinylic Substitution (S N V):S N Vπ versus S N Vσ Mechanistic Dichotomy

Fernández, Israel, Bickelhaupt, F. Matthias, Uggerud, Einar

Journal:

Journal of Organic Chemistry

Year:

2013

Language:

english

File:

PDF, 594 KB

english, 2013

31

Theory and experiment in mass spectrometry: a perspective on the relationship between computational modelling and experiment in gas-phase ion chemistry

Journal:

European Journal of Mass Spectrometry

Year:

2007

Language:

english

File:

PDF, 211 KB

english, 2007

32

A mechanistic investigation of the reactions between the tert-butyl methylene oxonium ion [CH2OC(CH3)3+] and ammonia: competition between substitution, addition-elimination, and elimination

Lihn Bache-Andreassen, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

2001

Language:

english

File:

PDF, 166 KB

english, 2001

33

Formation and Characterization of Gaseous Adducts of Carbon Dioxide to Magnesium, (CO2)MgX− (X=OH, Cl, Br)

Héloïse Dossmann (Soldi-Lose), Carlos Afonso, Denis Lesage, Jean-Claude Tabet, Einar Uggerud

Journal:

Angewandte Chemie International Edition

Year:

2012

Language:

english

File:

PDF, 558 KB

english, 2012

34

Mechanism for C–H bond activation in ethylene in the gas phase vs. in solution – vinylic or agostic? Revisiting the case of protonated Cp*Rh(C2H4)2

Fooladi, Erik, Krapp, Andreas, Sekiguchi, Osamu, Tilset, Mats, Uggerud, Einar

Journal:

Dalton Transactions

Year:

2010

Language:

english

File:

PDF, 449 KB

english, 2010

35

Solution and Gas-Phase Acidities of all-trans ( all-E ) Retinoic Acid: An Experimental and Computational Study

Abboud, José-Luis M., Koppel, Ilmar A., Uggerud, Einar, Leito, Ivo, Koppel, Ivar, Sekiguchi, Osamu, Kaupmees, Karl, Saame, Jaan, Kütt, Karl, Mishima, Masaaki

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 492 KB

english, 2015

36

Quantum chemical modeling of the reaction path of chorismate mutase based on the experimental substrate/product complex

Burschowsky, Daniel, Krengel, Ute, Uggerud, Einar, Balcells, David

Journal:

Year:

2017

Language:

english

File:

PDF, 615 KB

english, 2017

37

Unimolecular Dissociation of Hydrogen Squarate (HC 4 O 4– ) and the Squarate Radical Anion (C 4 O 4•– ) in the Gas Phase and the Relationship to CO Cyclooligomerization

Jestilä, Joakim S., Uggerud, Einar

Journal:

Journal of Organic Chemistry

Year:

2019

File:

PDF, 2.57 MB

2019

38

Physical Organic Chemistry of the Gas Phase—Reactivity Trends for Organic Cations

Journal:

Year:

2004

File:

PDF, 47 KB

2004

39

A quantum chemical investigation of the unimolecular chemistry of the formic acid radical cation and some of its isomers

Einar Uggerud, Wolfram Koch, Helmut Schwarz

Journal:

International Journal of Mass Spectrometry and Ion Processes

Year:

1986

Language:

english

File:

PDF, 572 KB

english, 1986

40

On the existence of the hypervalent H3O, H2DO, HD2O, and D3O radicals

Preben Hvelplund, Steen Brøndsted Nielsen, Subhasis Panja, Jens Olaf Pepke Pedersen, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

2009

Language:

english

File:

PDF, 283 KB

english, 2009

41

Decomposition of protonated formic acid: one transition state—two product channels

Osamu Sekiguchi, Vebjørn Bakken, Einar Uggerud

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2004

Language:

english

File:

PDF, 293 KB

english, 2004

42

Loss of H2 from CH2NH2+ and NHNH2+. Reaction mechanisms and dynamics from observation of metastable ion fragmentations and ab initio calculations

Åse Marit Leere Øiestad, Einar Uggerud

Journal:

International Journal of Mass Spectrometry and Ion Processes

Year:

1997

Language:

english

File:

PDF, 587 KB

english, 1997

43

Nature of the transition state in gas phase SN2 identity reactions: correlation between nucleophilicity and proton affinity

Journal:

Journal of the Chemical Society Perkin Transactions 2

Year:

1999

Language:

english

File:

PDF, 133 KB

english, 1999

44

Single-Molecule Force Spectroscopy Measurements of Bond Elongation during a Bimolecular Reaction

Koti Ainavarapu, Sri Rama, . Wiita, Arun P, Dougan, Lorna, Uggerud, Einar, . Fernandez, Julio M

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 779 KB

english, 2008

45

Secondary isotope effect on kinetic energy release and reaction symmetry

Georg Hvistendahl, Einar Uggerud

Journal:

Journal of Mass Spectrometry

Year:

1985

Language:

english

File:

PDF, 193 KB

english, 1985

46

Formation and Characterization of Gaseous Adducts of Carbon Dioxide to Magnesium, (CO2)MgX− (X=OH, Cl, Br)

Héloïse Dossmann (Soldi-Lose), Carlos Afonso, Denis Lesage, Jean-Claude Tabet, Einar Uggerud

Journal:

Angewandte Chemie

Year:

2012

Language:

english

File:

PDF, 412 KB

english, 2012

47

Dynamics of the reaction CH2OH+ .fwdarw. CHO+ + H2. Translational energy release from ab initio trajectory calculations

Uggerud, Einar, Helgaker, Trygve

Journal:

Journal of the American Chemical Society

Year:

1992

Language:

english

File:

PDF, 2.01 MB

english, 1992

48

INTERACTIONS AND ENERGY TRANSFER

Journal:

Mass Spectrometry Reviews

Year:

2020

File:

PDF, 1.54 MB

2020

49

The unimolecular dissociation of protonated glyoxylic acid: Structure and dynamics of a step-by-step process

Osamu Sekiguchi, Matthias C. Letzel, Dietmar Kuck, Einar Uggerud

Journal:

International Journal of Mass Spectrometry

Year:

2006

Language:

english

File:

PDF, 387 KB

english, 2006

50

Reactions of nitrophenide and halonitrophenide ions with acrylonitrile and alkyl acrylates in the gas phase: The case of [M−2]− ion formation

Magdalena Zimnicka, Osamu Sekiguchi, Einar Uggerud, Witold Danikiewicz

Journal:

International Journal of Mass Spectrometry

Year:

2012

Language:

english

File:

PDF, 901 KB

english, 2012

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