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Theoretical Study of the Importance of the Spectator Groups on the Hydrolysis of Phosphate Triesters

https://doi.org/10.1021/jo301380v
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35/35 checkable references clean · checked 2026-07-22

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.

3 without a DOI — not checked. A reference deposited without a DOI is never matched by title or guessed at; it stays outside the checked set, and this line discloses that.

The 35 checked references that resolve
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Enzymatic Mechanisms of Phosphate and Sulfate Transfer
resolves10.1016/S0065-3160(05)40002-7
Mechanistic studies on enzyme-catalyzed phosphoryl transfer
resolves10.1146/annurev-biochem-060409-092741
Biological Phosphoryl-Transfer Reactions: Understanding Mechanism and Catalysis
resolves10.1016/S0065-3160(07)42006-8
Metal-catalyzed alcoholysis reactions of carboxylate and organophosphorus esters
resolves10.1021/ja106416g
Improving a Natural Enzyme Activity through Incorporation of Unnatural Amino Acids
resolves10.1039/B705025A
Catalytic methods for the destruction of chemical warfare agents under ambient conditions
resolves10.1021/cr100193y
Destruction and Detection of Chemical Warfare Agents
resolves10.1021/ja808746f
Efficient Intramolecular General-Acid Catalysis of the Reactions of α-Effect Nucleophiles and Ammonia Oxide with a Phosphate Triester
resolves10.1039/J29700001172
The reactivity of phosphate esters. Multiple structure–reactivity correlations for the reactions of triesters with nucleophiles
resolves10.1002/chem.201101926
Activating Water: Important Effects of Non‐leaving Groups on the Hydrolysis of Phosphate Triesters
resolves10.1039/c0ob01210f
The effect of leaving group on mechanistic preference in phosphate monoester hydrolysis
resolves10.1021/ct800330d
Description of Phosphate Hydrolysis Reactions with the Self-Consistent-Charge Density-Functional-Tight-Binding (SCC-DFTB) Theory. 1. Parameterization
resolves10.1002/cphc.200800356
Associative Versus Dissociative Mechanisms of Phosphate Monoester Hydrolysis: On the Interpretation of Activation Entropies
resolves10.1021/ja065470t
On the Mechanism of Hydrolysis of Phosphate Monoesters Dianions in Solutions and Proteins
resolves10.1002/jcc.21238
Molecular dynamics simulations of the detoxification of paraoxon catalyzed by phosphotriesterase
resolves10.1021/jp068500n
Theoretical Study of the Phosphotriesterase Reaction Mechanism
resolves10.1016/j.theochem.2009.11.001
Alkaline hydrolysis of phosphate triesters in solution: Stepwise or concerted? A theoretical study
resolves10.1016/j.bbapap.2012.04.010
New light on phosphate transfer from triesters
resolves10.1021/jp809094y
Performance of SM6, SM8, and SMD on the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation Free Energies
resolves10.1021/jp810292n
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
resolves10.1002/cphc.200800753
Are Mixed Explicit/Implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation Models
resolves10.1007/BF00549096
Bonded-atom fragments for describing molecular charge densities
resolves10.1021/ct800394q
Electrostatic Potentials from Self-Consistent Hirshfeld Atomic Charges
resolves10.1002/jcc.10351
Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
resolves10.1021/j100348a011
Bond orders from ab initio calculations and a test of the principle of bond order conservation
resolves10.1063/1.449486
Natural population analysis
resolves10.1021/cr00088a005
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
resolves10.1016/0040-4020(68)88057-3
Application of the pople-santry-segal CNDO method to the cyclopropylcarbinyl and cyclobutyl cation and to bicyclobutane
resolves10.1021/jo00264a014
A theoretical study on the mechanism of the thermal and the acid-catalyzed decarboxylation of 2-oxetanones (.beta.-lactones)
resolves10.1063/1.2370993
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
resolves10.1007/s00214-007-0310-x
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
resolves10.1021/jp804715j
Mechanism of the Hydration of Carbon Dioxide: Direct Participation of H<sub>2</sub>O versus Microsolvation
resolves10.1002/jcc.20806
A comprehensive theoretical study on the hydrolysis of carbonyl sulfide in the neutral water
resolves10.1002/jcc.21058
Neutral hydrolyses of carbon disulfide: An<i>ab initio</i>study of water catalysis
resolves10.1021/jp907957k
Cooperative Effect of Solvent in the Neutral Hydration of Ketenimine: An ab Initio Study Using the Hybrid Cluster/Continuum Model
The 3 references without a DOI — listed, not checked
no DOI — not checkedref4/cit4
no DOI — not checkedFrisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, J. A., Jr.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, J. M.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, O.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J.Gaussian 09, Revision A.02.;Gaussian, Inc.,Wallingford, CT, 2009.
no DOI — not checkedStatistical Mechanics
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