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Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3

Version 2 2024-06-03, 17:43
Version 1 2017-05-11, 14:40
journal contribution
posted on 2024-06-03, 17:43 authored by RM Minyaev, DJ Wales, Tiffany WalshTiffany Walsh
Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3

History

Journal

Journal of Physical Chemistry A

Volume

101

Pagination

1384-1392

ISSN

1089-5639

Language

English

Author URL

Publication classification

CN.1 Other journal article

Issue

7

Publisher

American Chemical Society

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    Research Publications

    Categories

    Keywords

    Science & TechnologyPhysical SciencesChemistry, PhysicalPhysics, Atomic, Molecular & ChemicalChemistryPhysicsCHEMISTRY, PHYSICALPHYSICS, ATOMIC, MOLECULAR & CHEMICALPOTENTIAL-ENERGY SURFACESQUADRATIC STEEPEST DESCENTEDGE INVERSIONAB-INITIOGEOMETRY OPTIMIZATIONMOLECULAR-STRUCTURESTATIONARY-POINTSTRANSITION-STATESPERIODIC TRENDSBORON-COMPOUNDS

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    All Rights Reserved

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