ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water.

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ETS-NOCV decomposition of the reaction force for double-proton transfer in formamide-derived systems.The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study.

P2860

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P2860

ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water.

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ETS-NOCV Decomposition of the ...... on Reaction Assisted by Water.

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ETS-NOCV Decomposition of the ...... on Reaction Assisted by Water.

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ETS-NOCV Decomposition of the ...... on Reaction Assisted by Water.

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ETS-NOCV Decomposition of the ...... on Reaction Assisted by Water.

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ETS-NOCV Decomposition of the ...... on Reaction Assisted by Water.

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ETS-NOCV Decomposition of the ...... on Reaction Assisted by Water.

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P1476

ETS-NOCV Decomposition of the ...... on Reaction Assisted by Water.

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P2093

Silvia Díaz

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P2860

Density-functional exchange-energy approximation with correct asymptotic behavior

Density-functional approximation for the correlation energy of the inhomogeneous electron gas

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Distortion/interaction energy control of 1,3-dipolar cycloaddition reactivity.

The activation strain model and molecular orbital theory: understanding and designing chemical reactions.

An assessment of theoretical methods for nonbonded interactions: comparison to complete basis set limit coupled-cluster potential energy curves for the benzene dimer, the methane dimer, benzene-methane, and benzene-H2S.

Applications of the ETS-NOCV method in descriptions of chemical reactions.

The reaction force and the transition region of a reaction.

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

Nucleophilic Substitution at Phosphorus (SN2@P): Disappearance and Reappearance of Reaction Barriers

P304

2076-2087

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scholarly article

P356

10.1002/JCC.24856

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P478

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Alejandro Toro-Labbe

Mateusz Zbigniew Brela

Artur Michalak

Soledad Gutiérrez-Oliva

P577

2017-07-18T00:00:00Z

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28718926

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ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water.

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P2860

P2860

ETS-NOCV Decomposition of the Reaction Force: The HCN/CNH Isomerization Reaction Assisted by Water.

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P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P433

P478

P50

P577

P698