Transition state barrier height for the reaction H2CO→H2+CO studied by multireference Mo/ller–Plesset perturbation theory

Haruyuki Nakano; Kenichi Nakayama; Kimihiko Hirao; Michel Dupuis

doi:10.1063/1.473540

Transition state barrier height for the reaction H2CO→H2+CO studied by multireference Mo/ller–Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.473540 ◽

1997 ◽

Vol 106 (12) ◽

pp. 4912-4917 ◽

Cited By ~ 60

Author(s):

Haruyuki Nakano ◽

Kenichi Nakayama ◽

Kimihiko Hirao ◽

Michel Dupuis

Keyword(s):

Perturbation Theory ◽

Transition State ◽

Barrier Height ◽

Transition State Barrier ◽

Plesset Perturbation Theory

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The photodissociation of formaldehyde: A coupled cluster study including connected triple excitations of the transition state barrier height for H2CO→H2+CO

The Journal of Chemical Physics ◽

10.1063/1.455821 ◽

1989 ◽

Vol 90 (7) ◽

pp. 3629-3636 ◽

Cited By ~ 88

Author(s):

Gustavo E. Scuseria ◽

Henry F. Schaefer

Keyword(s):

Transition State ◽

Barrier Height ◽

Coupled Cluster ◽

Transition State Barrier

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A scaled explicitly correlated F12 correction to second-order Møller–Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/5.0033411 ◽

2021 ◽

Vol 154 (4) ◽

pp. 044101

Author(s):

L. Urban ◽

T. H. Thompson ◽

C. Ochsenfeld

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Explicitly Correlated ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Tensor hypercontraction density fitting. I. Quartic scaling second- and third-order Møller-Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4732310 ◽

2012 ◽

Vol 137 (4) ◽

pp. 044103 ◽

Cited By ~ 142

Author(s):

Edward G. Hohenstein ◽

Robert M. Parrish ◽

Todd J. Martínez

Keyword(s):

Perturbation Theory ◽

Third Order ◽

Density Fitting ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Second order Møller-Plesset perturbation theory based upon the fragment molecular orbital method

The Journal of Chemical Physics ◽

10.1063/1.1769362 ◽

2004 ◽

Vol 121 (6) ◽

pp. 2483 ◽

Cited By ~ 215

Author(s):

Dmitri G. Fedorov ◽

Kazuo Kitaura

Keyword(s):

Perturbation Theory ◽

Molecular Orbital ◽

Second Order ◽

Orbital Method ◽

Molecular Orbital Method ◽

Fragment Molecular Orbital ◽

Moller Plesset ◽

Plesset Perturbation Theory

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NMR shielding tensors for density fitted local second-order Møller-Plesset perturbation theory using gauge including atomic orbitals

The Journal of Chemical Physics ◽

10.1063/1.4744102 ◽

2012 ◽

Vol 137 (8) ◽

pp. 084107 ◽

Cited By ~ 25

Author(s):

Stefan Loibl ◽

Martin Schütz

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Atomic Orbitals ◽

Shielding Tensors ◽

Moller Plesset ◽

Plesset Perturbation Theory

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The molecular gradient using the divide-expand-consolidate resolution of the identity second-order Møller-Plesset perturbation theory: The DEC-RI-MP2 gradient

The Journal of Chemical Physics ◽

10.1063/1.4956454 ◽

2016 ◽

Vol 145 (2) ◽

pp. 024106 ◽

Cited By ~ 15

Author(s):

Dmytro Bykov ◽

Kasper Kristensen ◽

Thomas Kjærgaard

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Resolution Of The Identity ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Transition state and barrier height for the silanediyl insertion reaction SiH2+ H2? SiH4

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39830000785 ◽

1983 ◽

pp. 785 ◽

Cited By ~ 10

Author(s):

Roger S. Grev ◽

Henry F. Schaefer

Keyword(s):

Transition State ◽

Barrier Height ◽

Insertion Reaction

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Theoretical Study on Electronic and Spin Structures of [Fe2S2]2+,+Cluster: Reference Interaction Site Model Self-Consistent Field (RISM-SCF) and Multireference Second-Order Møller−Plesset Perturbation Theory (MRMP) Approach

The Journal of Physical Chemistry A ◽

10.1021/jp0581429 ◽

2005 ◽

Vol 109 (43) ◽

pp. 9867-9874 ◽

Cited By ~ 11

Author(s):

Masahiro Higashi ◽

Shigeki Kato

Keyword(s):

Perturbation Theory ◽

Theoretical Study ◽

Spin Structures ◽

Interaction Site ◽

Site Model ◽

Consistent Field ◽

Self Consistent ◽

Self Consistent Field ◽

Moller Plesset ◽

Plesset Perturbation Theory

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Static hyperpolarisabilities and polarisabilities for Be: a fourth-order Moller-Plesset perturbation theory calculation

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/21/23/004 ◽

1988 ◽

Vol 21 (23) ◽

pp. 3819-3831 ◽

Cited By ~ 42

Author(s):

G Maroulis ◽

A J Thakkar

Keyword(s):

Perturbation Theory ◽

Fourth Order ◽

Moller Plesset ◽

Theory Calculation ◽

Plesset Perturbation Theory

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Potential energy curve for isomerization of N2H2 and C2H4 using the improved virtual orbital multireference Møller–Plesset perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.2837662 ◽

2008 ◽

Vol 128 (14) ◽

pp. 144304 ◽

Cited By ~ 39

Author(s):

Rajat K. Chaudhuri ◽

Karl F. Freed ◽

Sudip Chattopadhyay ◽

Uttam Sinha Mahapatra

Keyword(s):

Perturbation Theory ◽

Potential Energy ◽

Potential Energy Curve ◽

Energy Curve ◽

Virtual Orbital ◽

Moller Plesset ◽

Plesset Perturbation Theory

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