Quantum Mechanical and ReaxFF-Based Studies of the Intramolecular Investigations on the Iminium-Enamine Conversion in a Proline Catalyzed Reaction

Pierre Hubin; Denis Jacquemin; Laurence Leherte; Daniel P. Vercauteren

Quantum Mechanical and ReaxFF-Based Studies of the Intramolecular Investigations on the Iminium-Enamine Conversion in a Proline Catalyzed Reaction

Pierre Hubin, Denis Jacquemin, Laurence Leherte, Daniel P. Vercauteren

Research output: Contribution in Book/Catalog/Report/Conference proceeding › Catalog chapter contribution

Original language	English
Title of host publication	Abstracts of Papers of the American Chemical Society
Pages	COMP-259
Volume	243
Publication status	Published - 2012

Projects

1 Active

consortium des équipements de calcul intensif

CHAMPAGNE, B.

1/01/11 → 31/12/20

Project: Research

Equipment

High Performance Computing Technology Platform

Benoît Champagne (Manager)

Technological Platform High Performance Computing

Facility/equipment: Technological Platform

Cite this

Hubin, P., Jacquemin, D., Leherte, L., & Vercauteren, D. P. (2012). Quantum Mechanical and ReaxFF-Based Studies of the Intramolecular Investigations on the Iminium-Enamine Conversion in a Proline Catalyzed Reaction. In Abstracts of Papers of the American Chemical Society (Vol. 243, pp. COMP-259)

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title = "Quantum Mechanical and ReaxFF-Based Studies of the Intramolecular Investigations on the Iminium-Enamine Conversion in a Proline Catalyzed Reaction",

author = "Pierre Hubin and Denis Jacquemin and Laurence Leherte and Vercauteren, {Daniel P.}",

year = "2012",

language = "English",

volume = "243",

pages = "COMP--259",

booktitle = "Abstracts of Papers of the American Chemical Society",

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Quantum Mechanical and ReaxFF-Based Studies of the Intramolecular Investigations on the Iminium-Enamine Conversion in a Proline Catalyzed Reaction. / Hubin, Pierre; Jacquemin, Denis; Leherte, Laurence ; Vercauteren, Daniel P.

Abstracts of Papers of the American Chemical Society. Vol. 243 2012. p. COMP-259.

Research output: Contribution in Book/Catalog/Report/Conference proceeding › Catalog chapter contribution

TY - CHAP

T1 - Quantum Mechanical and ReaxFF-Based Studies of the Intramolecular Investigations on the Iminium-Enamine Conversion in a Proline Catalyzed Reaction

AU - Hubin, Pierre

AU - Jacquemin, Denis

AU - Leherte, Laurence

AU - Vercauteren, Daniel P.

PY - 2012

Y1 - 2012

M3 - Catalog chapter contribution

VL - 243

SP - COMP-259

BT - Abstracts of Papers of the American Chemical Society

ER -