Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study

Vivek S. Bharadwaj; Shubham Vyas; Stephanie M. Villano; C. Mark Maupin; Anthony M. Dean

doi:10.1039/c8cp90064g

Correction: Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study

Physical Chemistry Chemical Physics ◽

10.1039/c8cp90064g ◽

2018 ◽

Vol 20 (14) ◽

pp. 9671-9671

Author(s):

Vivek S. Bharadwaj ◽

Shubham Vyas ◽

Stephanie M. Villano ◽

C. Mark Maupin ◽

Anthony M. Dean

Keyword(s):

Ab Initio ◽

Gas Phase ◽

Chem Phys ◽

Ab Initio Study ◽

Fumarate Addition ◽

The Impact ◽

Phys Chem Chem Phys

Correction for ‘Unravelling the impact of hydrocarbon structure on the fumarate addition mechanism – a gas-phase ab initio study’ by Vivek S. Bharadwaj et al., Phys. Chem. Chem. Phys., 2015, 17, 4054–4066.

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Comment on “Ab initio study of MoS2and Li adsorbed on the (101̄0) face of MoS2” by V. Alexiev, R. Prins and Th. Weber, Phys. Chem. Chem. Phys., 2000, 2, 1815, and “DFT study of MoS2and hydrogen adsorbed on the (101̄0) face of MoS2” by V. Alexiev, R. Prins and Th. Weber, Phys. Chem. Chem. Phys., 2001, 3, 5326

Physical Chemistry Chemical Physics ◽

10.1039/b201528p ◽

2002 ◽

Vol 4 (16) ◽

pp. 4078-4079 ◽

Cited By ~ 3

Author(s):

Ricardo Grau-Crespo ◽

Rafael López-Cordero

Keyword(s):

Ab Initio ◽

Chem Phys ◽

Dft Study ◽

Ab Initio Study ◽

Phys Chem Chem Phys

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Reply to the ‘Comment on “Ab initio study of MoS2and Li adsorbed on the (101̄0) face of MoS2”, and “DFT study of MoS2and hydrogen adsorbed on the (101̄0) face of MoS2”’ by R. Grau-Crespo and R. López-Cordero, Phys. Chem. Chem. Phys., 2002,4, 4078

Physical Chemistry Chemical Physics ◽

10.1039/b203902h ◽

2002 ◽

Vol 4 (16) ◽

pp. 4080-4081 ◽

Cited By ~ 3

Author(s):

Valentin Alexiev ◽

Teodora Todorova ◽

Roel Prins ◽

Thomas Weber

Keyword(s):

Ab Initio ◽

Chem Phys ◽

Dft Study ◽

Ab Initio Study ◽

Phys Chem Chem Phys

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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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Erratum: The second hyperpolarizability of HCl and the effect of basis set variation on this property in hydrogen fluoride by fully coupled Hartree–Fock perturbation theory with a method for circumventing the transformation of two‐electron integrals. An ab initio study [J. Chem. Phys. 85, 2831 (1986)]

The Journal of Chemical Physics ◽

10.1063/1.455748 ◽

1988 ◽

Vol 89 (6) ◽

pp. 3931-3931

Author(s):

J. Waite ◽

M. G. Papadopoulos

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Hydrogen Fluoride ◽

Chem Phys ◽

Basis Set ◽

Ab Initio Study ◽

Second Hyperpolarizability ◽

Hartree Fock ◽

Fully Coupled

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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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The impact of anionic vacancies on the mechanical properties of NbC and NbN: An ab initio study

Computational Materials Science ◽

10.1016/j.commatsci.2021.111113 ◽

2022 ◽

Vol 203 ◽

pp. 111113

Author(s):

P.W. Muchiri ◽

K.K. Korir ◽

N.W. Makau ◽

G.O. Amolo

Keyword(s):

Mechanical Properties ◽

Ab Initio ◽

Ab Initio Study ◽

The Impact

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Correction: Penetrating probability and cross section of the Li+–C60 encapsulation process through an ab initio molecular dynamics investigation

Physical Chemistry Chemical Physics ◽

10.1039/c8cp91882a ◽

2018 ◽

Vol 20 (41) ◽

pp. 26786-26786

Author(s):

Thi H. Ho ◽

Yoshiyuki Kawazoe ◽

Hung M. Le

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Cross Section ◽

Chem Phys ◽

Ab Initio Molecular Dynamics ◽

Encapsulation Process ◽

Phys Chem Chem Phys

Correction for ‘Penetrating probability and cross section of the Li+–C60 encapsulation process through an ab initio molecular dynamics investigation’ by Thi H. Ho et al., Phys. Chem. Chem. Phys., 2018, 20, 7007–7013.

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