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.
The 61 checked references that resolve
resolves10.1016/S0144-2449(96)00127-3Alkane sorption in molecular sieves: The contribution of ordering, intermolecular interactions, and sorption on Brønsted acid sites
resolves10.1021/ar200138nThe Roles of Entropy and Enthalpy in Stabilizing Ion-Pairs at Transition States in Zeolite Acid Catalysis
resolves10.1021/ja807695pQuantum Chemical Modeling of Zeolite-Catalyzed Methylation Reactions: Toward Chemical Accuracy for Barriers
resolves10.1021/ja102261mQuantum Chemical Modeling of Benzene Ethylation over H-ZSM-5 Approaching Chemical Accuracy: A Hybrid MP2:DFT Study
resolves10.1063/1.4750979Van der Waals interactions between hydrocarbon molecules and zeolites: Periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory
resolves10.1021/ja307076tAb Initio Prediction of Adsorption Isotherms for Small Molecules in Metal–Organic Frameworks: The Effect of Lateral Interactions for Methane/CPO-27-Mg
resolves10.1039/c3cp52321gAccurate adsorption energies of small molecules on oxide surfaces: CO–MgO(001)
resolves10.1063/1.1883630n
-alkanes on MgO(100). II. Chain length dependence of kinetic desorption parameters for small n-alkanes
resolves10.1039/c0cp01261kAccurate quantum chemical energies for the interaction of hydrocarbons with oxide surfaces: CH4/MgO(001)
resolves10.1021/ct0501102Accurate QM/MM Free Energy Calculations of Enzyme Reactions: Methylation by Catechol <i>O</i>-Methyltransferase
resolves10.1021/cr8002642Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity
resolves10.1021/j150626a022Bonding ability of surface sites on silica and their effect on hydrogen bonds. A quantum-chemical and statistical thermodynamic treatment
resolves10.1039/b819435cPhysisorption and chemisorption of alkanes and alkenes in H-FAU: a combined ab initio–statistical thermodynamics study
resolves10.1021/ct1005505Normal Mode Analysis in Zeolites: Toward an Efficient Calculation of Adsorption Entropies
resolves10.1063/1.4866455Adsorption of CO2, N2, and CH4 in Cs-exchanged chabazite: A combination of van der Waals density functional theory calculations and experiment study
resolves10.1063/1.3679167Dispersion-corrected density functional theory calculations of the molecular binding of <i>n</i>-alkanes on Pd(111) and PdO(101)
resolves10.1021/ja1073992First Principle Kinetic Studies of Zeolite-Catalyzed Methylation Reactions
resolves10.1021/ct4005504Quantum Chemical Free Energies: Structure Optimization and Vibrational Frequencies in Normal Modes
resolves10.1135/cccc19981394Comparing the Acidities of Microporous Aluminosilicate and Silico-Aluminophosphate Catalysts: A Combined Quantum Mechanics-Interatomic Potential Function Study
resolves10.1021/jp045531eAdsorption of NH<sub>3</sub> and H<sub>2</sub>O in Acidic Chabazite. Comparison of ONIOM Approach with Periodic Calculations
resolves10.1016/j.jcat.2007.05.025Proton exchange of small hydrocarbons over acidic chabazite: Ab initio study of entropic effects
resolves10.1039/B608262ATreating dispersion effects in extended systems by hybrid MP2:DFT calculations—protonation of isobutene in zeolite ferrierite
resolves10.1063/1.2395940Exploring the effect of anharmonicity of molecular vibrations on thermodynamic properties
resolves10.1063/1.2987712Predicting accurate vibrational frequencies for highly anharmonic systems
resolves10.1021/jp111299mAnharmonicity of Weakly Bound M<sup>+</sup>−H<sub>2</sub> Complexes
resolves10.1021/jp045498wAssessing the Acidity of High Silica Chabazite H−SSZ-13 by FTIR Using CO as Molecular Probe: Comparison with H−SAPO-34
resolves10.1021/jp9706487Brønsted Acid Site and Pore Controlled Siting of Alkane Sorption in Acidic Molecular Sieves
resolves10.1016/0021-9517(82)90155-5Infrared spectroscopic study of hydroxyl group acid strength of silica, alumina, and magnesia mixed oxides
resolves10.1098/rspa.1971.0050Sorption in decationated zeolites II. Simple paraffins in H-forms of chabazite and zeolite L
resolves10.1063/1.481296Finding transition structures in extended systems: A strategy based on a combined quantum mechanics–empirical valence bond approach
resolves10.1080/00268977000101561The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
resolves10.1063/1.479830Basis set convergence of the interaction energy of hydrogen-bonded complexes
resolves10.1063/1.473863Basis-set convergence of correlated calculations on water
resolves10.1103/PhysRevB.46.6671Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
resolves10.1002/jcc.20495Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
resolves10.1063/1.1290013CC2 excitation energy calculations on large molecules using the resolution of the identity approximation
resolves10.1063/1.456153Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
resolves10.1063/1.464303Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon
resolves10.1021/jp306647sAnharmonicity of Weakly Bound Li<sup>+</sup>–(H<sub>2</sub>)<sub><i>n</i></sub> (<i>n</i> = 1–3) Complexes
resolves10.1002/jcc.21069Application of semiempirical long‐range dispersion corrections to periodic systems in density functional theory
resolves10.1021/jp980006zRigid-Unit Modes and the Quantitative Determination of the Flexibility Possessed by Zeolite Frameworks
resolves10.1021/ja953856qEnergetics of<i>n</i>-Alkanes in Zeolites: A Configurational-Bias Monte Carlo Investigation into Pore Size Dependence
The 5 references without a DOI — listed, not checked
no DOI — not checkedEssentials of Computational Chemistry: Theories and Models
no DOI — not checkedProceedings of the 10th International Zeolite Association Meeting
no DOI — not checkedAlessio, M.; Rybicki, M.; Bischoff, F.; Sauer, J.Multi-Level Energy Landscapes: The MonaLisa Program;Humboldt University:Berlin, 2014.
no DOI — not checkedKresse, G.VASP 5.2.12,http://cms.mpi.univie.ac.at/vasp/vasp/vasp.html, 2012.
no DOI — not checkedTURBOMOLEV6.5;TURBOMOLE GmbH:Karlsruhe, available fromhttp://www.turbomole.com, 2013.
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