Concepedia

Emerson (United States)

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Publications

1.6K

Citations

169.8K

Authors

75

Location

St Louis, United States

Emerson (United States) is a company institution in St Louis, United States known for natural sciences, chemistry, and computational chemistry.

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Top concepts

Natural SciencesChemistryComputational ChemistryPhysicsAb Initio MethodsMolecular Orbital TheoryTheoretical ChemistryQuantum ChemistryPhysical ChemistryPotential Energy Surfaces

Publications

1.6K

ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(<i>t</i>-Bu)<sub>3</sub>)<sub>2</sub> + H<sub>2</sub> Oxidative Addition

Mats Svensson, Stéphane Humbel, Robert D. J. Froese et al. · The Journal of Physical Chemistry · 1996 · 2K citations

Natural Sciences, Chemistry, Physics +17

IMOMM: A new integrated <i>ab initio</i> + molecular mechanics geometry optimization scheme of equilibrium structures and transition states

Feliu Maseras, Keiji Morokuma · Journal of Computational Chemistry · 1995 · 1.7K citations

Natural Sciences, Chemistry, Computational Chemistry +13

Permutationally invariant potential energy surfaces in high dimensionality

Bastiaan J. Braams, Joel M. Bowman · International Reviews in Physical Chemistry · 2009 · 986 citations

Natural Sciences, Chemistry, Physics +17

The IMOMO method: Integration of different levels of molecular orbital approximations for geometry optimization of large systems: Test for <i>n</i>-butane conformation and <i>S</i> <i>N</i>2 reaction: RCl+Cl−

Stéphane Humbel, Stefan Sieber, Keiji Morokuma · The Journal of Chemical Physics · 1996 · 671 citations

Natural Sciences, Chemistry, Physics +16

Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods

Satoshi Maeda, Koichi Ohno, Keiji Morokuma · Physical Chemistry Chemical Physics · 2013 · 632 citations

Natural Sciences, Chemistry, Physics +17

1–5 of 1.6K

Authors

75

1–5 of 75