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Following Reaction Pathways Using a Damped Classical Trajectory Algorithm
29/29 checkable references clean · checked 2026-07-23
Every reference with a DOI in the deposited reference list resolved to a known work in Crossref or DataCite at the dated check, and none carried a retraction, withdrawal, or removal notice.
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The 29 checked references that resolve
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Newton Based Optimization Methods for Obtaining Molecular Conformation
resolves10.1021/ja00295a002
The intrinsic reaction coordinate and the rotational barrier in silaethylene
resolves10.1063/1.434152
The intrinsic reaction coordinate. An <i>a</i>
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<i>o</i> calculation for HNC→HCN and H−+CH4→CH4+H−
resolves10.1021/j100317a022
Algorithms and accuracy requirements for computing reaction paths by the method of steepest descent
resolves10.1063/1.459634
Following steepest descent reaction paths. The use of higher energy derivatives with <i>a</i>
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<i>o</i> electronic structure methods
resolves10.1063/1.465995
Quadratic steepest descent on potential energy surfaces. II. Reaction path following without analytic Hessians
resolves10.1007/BF00547608
Location of saddle points and minimum energy paths by a constrained simplex optimization procedure
resolves10.1063/1.461606
Improved algorithms for reaction path following: Higher-order implicit algorithms
resolves10.1021/jp9517108
Fluorescence Anisotropy of 2,5,8,11-Tetra-<i>tert</i>-butylperylene and 2,5,10,13-Tetra-<i>tert</i>-butylterrylene in Alkanes and Alcohols
resolves10.1063/1.459500
A dynamic reaction coordinate approach to <i>a</i>
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<i>o</i> reaction pathways: Application to the 1,5 hexadiene Cope rearrangement
resolves10.1002/jcc.540080808
Semi‐empirical calculations of molecular trajectories: Method and applications to some simple molecular systems
resolves10.1063/1.440576
Potential energy characteristics and energy partitioning in chemical reactions: <i>A</i>
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<i>o</i> MO study of four-centered elimination reaction CH3CH2F→CH2=CH2+HF
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A combined method for determining reaction paths, minima, and transition state geometries
resolves10.1021/om00020a039
Oxidative Addition of Alkyl Halides to Rhodium(I) and Iridium(I) Dicarbonyl Diiodides: Key Reactions in the Catalytic Carbonylation of Alcohols
resolves10.1016/0304-5102(77)80048-5
Propriétés catalytiques des complexes des métaux précieux: carbonylation du méthanol en acide acétique en presence de composes de l'iridium (I)
resolves10.1016/0021-9517(78)90242-7
Mechanistic study of methanol carbonylation catalyzed by an iridium complex in the presence of methyl iodide
resolves10.1016/S0065-3055(08)60325-1
Mechanistic Pathways in the Catalytic Carbonylation of Methanol by Rhodium and Iridium Complexes
resolves10.1039/dt9790001639
Kinetic and spectroscopic studies of the carbonylation of methanol with an iodide-promoted iridium catalyst
resolves10.1016/S0360-0564(08)60591-X
Mechanistic Aspects of Transition-Metal-Catalyzed Alcohol Carbonylations
resolves10.1021/om9910221
Density Functional Study of the Migratory Insertion Step in the Carbonylation of Methanol Catalyzed by [M(CO)<sub>2</sub>I<sub>2</sub>]<sup>-</sup>(M = Rh, Ir)
The 13 references without a DOI — listed, not checked
no DOI — not checkedExploring Chemistry with Electronic Structure Methods
no DOI — not checkedjp012125bb00004/jp012125bb00004_1
no DOI — not checkedjp012125bb00006/jp012125bb00006_1
no DOI — not checkedModern Electronic Structure Theory
no DOI — not checkedEncyclopedia of Computational Chemistry
no DOI — not checkedEncyclopedia of Computational Chemistry
no DOI — not checkedjp012125bb00011/jp012125bb00011_1
no DOI — not checkedNumerical Initial Value Problems in Ordinary Differential Equations
no DOI — not checkedjp012125bb00024/jp012125bb00024_1
no DOI — not checkedTheory of Chemical Reaction Dynamics
no DOI — not checkedjp012125bb00026/jp012125bb00026_1
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no DOI — not checkedNumerical Recipes in Fortran 77: The Art of Scientific Computing
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