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Thermal Fluctuations and Infrared Spectra of the Formamide–Formamidine Complex

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Outgoing claims: the papers this work cites, builds on, or argues with.

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The mechanism of double proton transfer in dimers of uracil and 2‐thiouracil—The reaction force perspective

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The High-Resolution FTIR Far-Infrared Spectrum of Formamide

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Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase

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Infrared spectra of hydrogen bond a general theoretical model

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Cooperative effects in blue-shifted hydrogen bonded cluster of from first principles simulations

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Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

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Car–Parrinello molecular dynamics and density functional theory simulations of infrared spectra for acetic acid monomers and cyclic dimers

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Theoretical study on the double proton transfer in a hetero-hydrogen-bonded dimer of 11-propyl-6H-indolo-[2,3-b]quinoline (6HIQ) and 7-azaindole (7AI)

inferredcites →https://doi.org/10.1016/s0009-2614(02)01712-8openalex-snapshot

Nonempirical analysis of the catalytic activity of the molecular environment – optimal static and dynamic catalytic fields for double proton transfer in formamide–formamidine complex

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The path of chemical reactions - the IRC approach

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The Role of Anharmonicity in Hydrogen-Bonded Systems: The Case of Water Clusters

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‘Dynamic Distance' Reaction Coordinate for Competing Bonds: Applications in Classical and Ab Initio Simulations

inferredcites →https://doi.org/10.1021/ja0209969openalex-snapshot

Hydrogen Bond Vibrations of 2-Aminopyridine·2-Pyridone, a Watson−Crick Analogue of Adenine·Uracil

inferredcites →https://doi.org/10.1021/ja0400685openalex-snapshot

A Quantitative Reconstruction of the Amide I Contour in the IR Spectra of Globular Proteins: From Structure to Spectrum

inferredcites →https://doi.org/10.1021/ja049155nopenalex-snapshot

Double-Proton Transfer in Adenine−Thymine and Guanine−Cytosine Base Pairs. A Post-Hartree−Fock ab Initio Study

inferredcites →https://doi.org/10.1021/ja9804417openalex-snapshot

Single versus Double Proton-Transfer Reactions in Watson−Crick Base Pair Radical Cations. A Theoretical Study

inferredcites →https://doi.org/10.1021/jp021666dopenalex-snapshot

Double-Proton Transfer in the Formamidine−Formamide Dimer. Post-Hartree−Fock Gas-Phase and Aqueous Solution Study

inferredcites →https://doi.org/10.1021/jp074927yopenalex-snapshot

Formamide Dimers: A Computational and Matrix Isolation Study

inferredcites →https://doi.org/10.1021/jp9007575openalex-snapshot

Formic Acid Dimerization: Evidence for Species Diversity from First Principles Simulations

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Car−Parrinello Molecular Dynamics Study of the Intramolecular Vibrational Mode-Sensitive Double Proton-Transfer Mechanisms in Porphycene

inferredcites →https://doi.org/10.1039/b212732fopenalex-snapshot

Energetics, dynamics and infrared spectra of the DNA base-pair analogue 2-pyridone·2-hydroxypyridine

inferredcites →https://doi.org/10.1039/b913947hopenalex-snapshot

A computational study of the nuclear magnetic resonance parameters for double proton exchange pathways in the formamide–formic acid and formamide–formamidine complexes

inferredcites →https://doi.org/10.1039/c2cp24098jopenalex-snapshot

Vibrations and hydrogen bonding in porphycene

inferredcites →https://doi.org/10.1063/1.1543154openalex-snapshot

An efficient orbital transformation method for electronic structure calculations

inferredcites →https://doi.org/10.1063/1.1669673openalex-snapshot

Infrared Spectra of H-Bonded Systems

inferredcites →https://doi.org/10.1063/1.1774986openalex-snapshot

Quantum corrections to classical time-correlation functions: Hydrogen bonding and anharmonic floppy modes

inferredcites →https://doi.org/10.1063/1.1828433openalex-snapshot

The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water

inferredcites →https://doi.org/10.1063/1.2749251openalex-snapshot

Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system

inferredcites →https://doi.org/10.1063/1.2770708openalex-snapshot

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Nosé–Hoover chains: The canonical ensemble via continuous dynamics

inferredcites →https://doi.org/10.1063/1.464303openalex-snapshot

Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon

inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot

Density-functional thermochemistry. III. The role of exact exchange

inferredcites →https://doi.org/10.1063/1.476868openalex-snapshot

Very strong hydrogen bonds in neutral molecules: The phosphinic acid dimers

inferredcites →https://doi.org/10.1063/1.477923openalex-snapshot

A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters

inferredcites →https://doi.org/10.1073/pnas.80.10.2859openalex-snapshot

Perturbation of hydrogen bonds in the adenine . thymine base pair by Na+: A quantum chemical study.

inferredcites →https://doi.org/10.1080/00268977800102741openalex-snapshot

Fermi resonance in dimers : a model study

inferredcites →https://doi.org/10.1080/00268979709482119openalex-snapshot

A hybrid Gaussian and plane wave density functional scheme

inferredcites →https://doi.org/10.1080/002689797170220openalex-snapshot

A hybrid Gaussian and plane wave density functional scheme

inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot

Density-functional exchange-energy approximation with correct asymptotic behavior

inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

inferredcites →https://doi.org/10.1103/physrevb.54.1703openalex-snapshot

Separable dual-space Gaussian pseudopotentials

inferredcites →https://doi.org/10.1103/physrevb.61.10040openalex-snapshot

General and efficient algorithms for obtaining maximally localized Wannier functions

inferredcites →https://doi.org/10.1351/pac-rec-10-01-02openalex-snapshot

Definition of the hydrogen bond (IUPAC Recommendations 2011)

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.2139/ssrn.4644394openalex-extracted

Rotational Spectroscopy and Intermolecular Interactions of the Formamide-Furan Complex

inferred← citeshttps://doi.org/10.1007/s00894-013-1969-7openalex-snapshot

Competition between hydrogen bonds and halogen bonds in complexes of formamidine and hypohalous acids

inferred← citeshttps://doi.org/10.1016/j.saa.2013.05.096openalex-snapshot

Vibrational Energy Distribution Analysis (VEDA): Scopes and limitations

inferred← citeshttps://doi.org/10.1016/j.saa.2014.11.064openalex-snapshot

Prediction and characterization of halogen bonds involving formamidine and its derivatives

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