Microsolvation of methylmercury: structures, energies, bonding and NMR constants (199Hg,13C and17O)

Edison Flórez; Alejandro F. Maldonado; Gustavo A. Aucar; Jorge David; Albeiro Restrepo

doi:10.1039/c5cp04826e

Microsolvation of methylmercury: structures, energies, bonding and NMR constants (199Hg,13C and17O)

Physical Chemistry Chemical Physics ◽

10.1039/c5cp04826e ◽

2016 ◽

Vol 18 (3) ◽

pp. 1537-1550 ◽

Cited By ~ 12

Author(s):

Edison Flórez ◽

Alejandro F. Maldonado ◽

Gustavo A. Aucar ◽

Jorge David ◽

Albeiro Restrepo

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Water Molecules ◽

Interaction Energies ◽

Hartree Fock ◽

Mp2 Calculations ◽

Equilibrium Geometries ◽

Second Order Perturbation Theory

Hartree–Fock (HF) and second order perturbation theory (MP2) calculations within the scalar and full relativistic frames were carried out in order to determine the equilibrium geometries and interaction energies between cationic methylmercury (CH3Hg+) and up to three water molecules.

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Second-Order Perturbation Theory with Spin-Symmetry-Projected Hartree–Fock

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00897 ◽

2019 ◽

Vol 15 (12) ◽

pp. 6688-6702 ◽

Cited By ~ 5

Author(s):

Takashi Tsuchimochi ◽

Seiichiro L. Ten-no

Keyword(s):

Perturbation Theory ◽

Spin Symmetry ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Hartree Fock ◽

Second Order Perturbation Theory

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Accurate interaction energies by spin component scaled Möller-Plesset second order perturbation theory calculations with optimized basis sets (SCS-MP2mod): Development and application to aromatic heterocycles

The Journal of Chemical Physics ◽

10.1063/1.5094288 ◽

2019 ◽

Vol 150 (23) ◽

pp. 234113 ◽

Cited By ~ 3

Author(s):

Ivo Cacelli ◽

Filippo Lipparini ◽

Leandro Greff da Silveira ◽

Matheus Jacobs ◽

Paolo Roberto Livotto ◽

...

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Basis Sets ◽

Order Perturbation Theory ◽

Spin Component ◽

Interaction Energies ◽

Aromatic Heterocycles ◽

Moller Plesset ◽

Second Order Perturbation Theory

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Gaussian-based range-separation approach on Hartree–Fock exchange interaction and second-order perturbation theory

Chemical Physics Letters ◽

10.1016/j.cplett.2015.12.069 ◽

2016 ◽

Vol 647 ◽

pp. 132-138 ◽

Cited By ~ 3

Author(s):

Tomomi Shimazaki ◽

Takahito Nakajima

Keyword(s):

Perturbation Theory ◽

Exchange Interaction ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Hartree Fock ◽

Second Order Perturbation Theory

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The Au(I)Au(I) interaction: Hartree-Fock and Møller-Plesset second-order perturbation theory calculations on [Se5Au2]2− and [Se6Au2]2− complexes

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00914-7 ◽

1997 ◽

Vol 277 (1-3) ◽

pp. 215-222 ◽

Cited By ~ 3

Author(s):

Daniel E. Bacelo ◽

S.D. Huang ◽

Yasuyuki Ishikawa

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Hartree Fock ◽

Moller Plesset ◽

Second Order Perturbation Theory

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Statistics of Smoothed Cosmic Fields in Perturbation Theory. I. Formulation and Useful Formulae in Second‐Order Perturbation Theory

The Astrophysical Journal ◽

10.1086/345521 ◽

2003 ◽

Vol 584 (1) ◽

pp. 1-33 ◽

Cited By ~ 93

Author(s):

Takahiko Matsubara

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Second-Order Perturbation Theory

Nuclear Science and Engineering ◽

10.13182/nse79-a19658 ◽

1979 ◽

Vol 70 (2) ◽

pp. 215-215

Author(s):

K. W. Burn

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Second-order perturbation theory for scattering from heterogeneous rough surfaces

Journal of the Optical Society of America A ◽

10.1364/josaa.21.001251 ◽

2004 ◽

Vol 21 (7) ◽

pp. 1251 ◽

Cited By ~ 14

Author(s):

Charles-Antoine Guérin ◽

Anne Sentenac

Keyword(s):

Perturbation Theory ◽

Rough Surfaces ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Second Order Perturbation Theory

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Effect of the nonlocal exchange on the performance of the orbital-dependent correlation functionals from second-order perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.2978171 ◽

2008 ◽

Vol 129 (12) ◽

pp. 124109 ◽

Cited By ~ 15

Author(s):

Igor V. Schweigert ◽

Rodney J. Bartlett

Keyword(s):

Perturbation Theory ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Dependent Correlation ◽

Second Order Perturbation Theory

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Second Order Perturbation Theory for a Superconducting Double Quantum Dot

Proceedings of the International Conference on Strongly Correlated Electron Systems (SCES2019) ◽

10.7566/jpscp.30.011002 ◽

2020 ◽

Cited By ~ 1

Author(s):

Vladislav Pokorný ◽

Martin Žonda ◽

Georgios Loukeris ◽

Tomáš Novotný

Keyword(s):

Perturbation Theory ◽

Quantum Dot ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Double Quantum ◽

Double Quantum Dot ◽

Second Order Perturbation Theory

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Second‐Order Perturbation Theory in Atomic and Molecular Quantum Mechanics (Application to the Electric Dipole and Quadrupole Polarizabilities and Shielding Factors of the Beryllium Atom)

The Journal of Chemical Physics ◽

10.1063/1.1725349 ◽

1964 ◽

Vol 40 (6) ◽

pp. 1478-1485 ◽

Cited By ~ 41

Author(s):

Hugh P. Kelly ◽

Howard S. Taylor

Keyword(s):

Perturbation Theory ◽

Quantum Mechanics ◽

Electric Dipole ◽

Second Order ◽

Order Perturbation ◽

Order Perturbation Theory ◽

Molecular Quantum Mechanics ◽

Second Order Perturbation Theory

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