Chemistry of hydrotrioxides. A comparative ab initio study of the equilibrium structures of monomeric and dimeric hydrotrioxides (CH3OOOH, H3SiOOOH) and hydroperoxides (CH3OOH, H3SiOOH). Relative bond strengths in and the gas phase acidities of hydrotrioxides and hydroperoxides

Joze Koller; Milan Hodoscek; Bozo Plesnicar

doi:10.1021/ja00162a013

Chemistry of hydrotrioxides. A comparative ab initio study of the equilibrium structures of monomeric and dimeric hydrotrioxides (CH3OOOH, H3SiOOOH) and hydroperoxides (CH3OOH, H3SiOOH). Relative bond strengths in and the gas phase acidities of hydrotrioxides and hydroperoxides

Journal of the American Chemical Society ◽

10.1021/ja00162a013 ◽

1990 ◽

Vol 112 (6) ◽

pp. 2124-2129 ◽

Cited By ~ 17

Author(s):

Joze Koller ◽

Milan Hodoscek ◽

Bozo Plesnicar

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Equilibrium Structures ◽

Bond Strengths

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Ab Initio Study of the Carbon-to-Carbon Identity Proton Transfer from Ketene to Its Anion in the Gas Phase

Journal of the American Chemical Society ◽

10.1021/ja003858x ◽

2001 ◽

Vol 123 (10) ◽

pp. 2430-2431 ◽

Cited By ~ 4

Author(s):

Claude F. Bernasconi ◽

Philip J. Wenzel

Keyword(s):

Proton Transfer ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study

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Gas Phase and Aqueous Thermochemistry of Hydrazine and Related Radicals and the Energy Profiles of Reactions with H•and OH•: An ab Initio Study

The Journal of Physical Chemistry A ◽

10.1021/jp964057c ◽

1997 ◽

Vol 101 (26) ◽

pp. 4761-4769 ◽

Cited By ~ 12

Author(s):

D. A. Armstrong ◽

D. Yu ◽

A. Rauk

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Energy Profiles

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ChemInform Abstract: Gas-Phase Structure and Conformations of Malonyl Difluoride (COF-CH2- COF) and Difluoromalonyl Difluoride (COF-CF2-COF). An Electron Diffraction and ab initio Study.

ChemInform ◽

10.1002/chin.199205049 ◽

2010 ◽

Vol 23 (5) ◽

pp. no-no

Author(s):

A. JIN ◽

H.-G. MACK ◽

A. WATERFELD ◽

H. OBERHAMMER

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Phase Structure ◽

Ab Initio Study ◽

Gas Phase Structure

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Gas phase conformational basicity of carvedilol Fragment B, 2(S)-1-(ethylamonium)propane-2-ol: An ab initio study on a protonophoretic of oxidative phosphorylation uncoupling

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(03)00258-6 ◽

2003 ◽

Vol 631 (1-3) ◽

pp. 251-270 ◽

Cited By ~ 5

Author(s):

David R.P. Almeida ◽

Donna M. Gasparro ◽

Luca F. Pisterzi ◽

Ladislaus L. Torday ◽

Andras Varro ◽

...

Keyword(s):

Oxidative Phosphorylation ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study

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Tungsten–Ligand Bond Strengths for 2p Elements Including σ- and π-Bond Strength Components, A Density Functional Theory and ab Initio Study

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b03272 ◽

2019 ◽

Vol 123 (37) ◽

pp. 7940-7949 ◽

Cited By ~ 1

Author(s):

Catherine A. Moulder ◽

Kristina Kafle ◽

Thomas R. Cundari

Keyword(s):

Density Functional Theory ◽

Bond Strength ◽

Ab Initio ◽

Density Functional ◽

Ab Initio Study ◽

Functional Theory ◽

Bond Strengths ◽

Ligand Bond

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Conformation and structure of 1,1,1,4,4,4-hexafluorobutane. A gas-phase electron diffraction and ab initio study

Journal of Molecular Structure ◽

10.1016/0022-2860(92)87097-f ◽

1992 ◽

Vol 273 ◽

pp. 317-322 ◽

Cited By ~ 3

Author(s):

Hans-Georg Mack ◽

Heinz Oberhammer ◽

Dietmar Bielefeldt

Keyword(s):

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Gas Phase Electron Diffraction

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On the formation of doubly charged cation radicals from acetyl and 1-hydroxyvinyl cations in the gas phase. A combined experimental and ab initio study

International Journal of Mass Spectrometry and Ion Processes ◽

10.1016/0168-1176(85)80016-1 ◽

1985 ◽

Vol 67 (2) ◽

pp. 171-177 ◽

Cited By ~ 6

Author(s):

Wolfram Koch ◽

Helmut Schwarz ◽

Francis Maquin ◽

Daniel Stahl

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Cation Radicals ◽

Doubly Charged

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Stabilizing the zwitter-ionic form of amino acids in the gas phase: An ab initio study on the minimum number of solvents and ions

Chemical Physics Letters ◽

10.1016/j.cplett.2014.07.058 ◽

2014 ◽

Vol 610-611 ◽

pp. 345-350 ◽

Cited By ~ 9

Author(s):

Arup Kumar Pathak

Keyword(s):

Amino Acids ◽

Ab Initio ◽

Gas Phase ◽

Ionic Form ◽

Ab Initio Study ◽

Minimum Number

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Mechanisms of reactions of BH2+, HBOH+, and H2BOH2+ with H2O. An experimental gas phase isotope labeling and theoretical ab initio study

International Journal of Mass Spectrometry ◽

10.1016/s1387-3806(98)14059-9 ◽

1998 ◽

Vol 179-180 ◽

pp. 55-60 ◽

Cited By ~ 3

Author(s):

Roustam Gareyev ◽

Travis J. DePuy ◽

Veronica M. Bierbaum ◽

Charles H. DePuy

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Isotope Labeling ◽

Ab Initio Study ◽

Mechanisms Of Reactions

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An ab initio study of the stationary structures of the major gas-phase tautomer of adenine

Chemical Physics Letters ◽

10.1016/0009-2614(91)85081-7 ◽

1991 ◽

Vol 177 (4-5) ◽

pp. 447-450 ◽

Cited By ~ 35

Author(s):

Noel V. Riggs

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Ab Initio Study

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