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Computational Study of Noncovalent Complexes between Formamide and Formic Acid
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Dimerization of Formic Acid-An Example of a “Noncovalent” Reaction Mechanism
inferredcites →https://doi.org/10.1002/1097-461x(2000)79:1<8::aid-qua2>3.0.co;2-0openalex-snapshot
Multiple minima hypersurfaces of water clusters for calculations of association energy
inferredcites →https://doi.org/10.1002/cphc.200400430openalex-snapshot
Noncovalent Complexes between Dimethyl Ether and Formic Acid—An Ab Initio and Matrix Isolation Study
inferredcites →https://doi.org/10.1002/qua.1416openalex-snapshot
BSSE‐free description of the formamide dimers
inferredcites →https://doi.org/10.1007/s002140050034openalex-snapshot
Counterpoise-corrected potential energy surfaces of simple H-bonded systems
inferredcites →https://doi.org/10.1016/0166-1280(94)03918-bopenalex-snapshot
Geometrical consequences of intermolecular hydrogen bond formation in the formic acid and acetic acid dimers from ab initio MO calculations
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A fifth-order perturbation comparison of electron correlation theories
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Structure, Energetics, and Force Fields of the Cyclic Formamide Dimer: MP2, Hartree-Fock, and Density Functional Study
inferredcites →https://doi.org/10.1021/j100077a007openalex-snapshot
Ab Initio Calculations of Supramolecular Recognition Modes. Cyclic versus Noncyclic Hydrogen Bonding in the Formic Acid/Formamide System
inferredcites →https://doi.org/10.1021/j150651a019openalex-snapshot
Ab initio molecular orbital study on the formic acid dimer
inferredcites →https://doi.org/10.1021/j150651a020openalex-snapshot
Theoretical study of methyl- and chloro-substituted disilenes, silylsilylenes, and related molecules
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Comparison of equilibrium reactions in the gaseous and liquid phases. A new, improved theoretical estimate
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A Theoretical Approach to Analytical Properties of 2,4-Diamino-5-phenylthiazole in Water Solution. Tautomerism and Dependence on pH
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/jp034158sopenalex-snapshot
Matrix Isolation Infrared and ab Initio Study of Formic Acid−Acetylene Interaction: Example of H···π and C−H···O Interaction
inferredcites →https://doi.org/10.1021/jp036901mopenalex-snapshot
Modeling Protein−RNA Interactions: An Electron-Density Study of the Formamide and Formic Acid Complexes with RNA Bases
inferredcites →https://doi.org/10.1021/jp0485082openalex-snapshot
1:2 Formic Acid/Acetylene Complexes: Ab Initio and Matrix Isolation Studies of Weakly Interacting Systems
inferredcites →https://doi.org/10.1021/jp9943880openalex-snapshot
Interaction Energies of Hydrogen-Bonded Formamide Dimer, Formamidine Dimer, and Selected DNA Base Pairs Obtained with Large Basis Sets of Atomic Orbitals
inferredcites →https://doi.org/10.1039/b110872gopenalex-snapshot
Potential energy and free energy surfaces of the formic acid dimer: Correlated ab initio calculations and molecular dynamics simulationsElectronic supplementary information (ESI) available: Optimised geometries of the structures in Tables 1 and 2. See http://www.rsc.org/suppdata/cp/b1/b110872g/
inferredcites →https://doi.org/10.1063/1.447079openalex-snapshot
Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
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The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
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Note on an Approximation Treatment for Many-Electron Systems
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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.4728647openalex-extracted
Electronic Structure Insights into Noncovalent Interactions between Aromatic Heterocycles and Formic Acid
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Acetylene⋅⋅⋅Furan Trimer Formation at 0.37 K as a Model for Ultracold Aggregation of Non‐ and Weakly Polar Molecules
inferred← citeshttps://doi.org/10.1002/qua.22292openalex-snapshot
Multiple minima hypersurfaces studies of aluminosilicate hydration
inferred← citeshttps://doi.org/10.1002/qua.24062openalex-snapshot
Theoretical study of free and encapsulated carboxylic acid and amide dimers
inferred← citeshttps://doi.org/10.1002/qua.70182openalex-snapshot
Quantum Chemical Insights Into Noncovalent Interactions Between Aromatic Heterocycles and Formic Acid
inferred← citeshttps://doi.org/10.1007/s12039-015-0885-zopenalex-snapshot
Theoretical Characterization of Hydrogen Bonding Interactions between RCHO (R = H, CN, CF3, OCH3, NH2) and HOR′(R′ = H, Cl, CH3, NH2, C(O)H, C6H5)
inferred← citeshttps://doi.org/10.1016/j.chemphys.2007.09.053openalex-snapshot
Ab initio and matrix isolation study of the acetylene–furan dimer
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2021.107562openalex-snapshot
Intrinsic relative preference profile of pan-kinase inhibitor drug staurosporine towards the clinically occurring gatekeeper mutations in Protein Tyrosine Kinases
inferred← citeshttps://doi.org/10.1016/j.heliyon.2019.e01586openalex-snapshot
Experimental, DFT dimeric modeling and AIM study of H-bond-mediated composite vibrational structure of Chelidonic acid
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.02.007openalex-snapshot
Theoretical study on the thermolysis of methyl-3-hydroxypropanoate in m-xylene solution
inferred← citeshttps://doi.org/10.1021/acs.inorgchem.6c01085openalex-snapshot
Theoretical Study of the Effect of Cis–Trans Isomerism on 1,2-Dihaloethylene–Formic Acid Complexes
inferred← citeshttps://doi.org/10.1021/jp074592kopenalex-snapshot
Relationship between the Critical Points Found by the Electron Localization Function and Atoms in Molecules Approaches in Adducts with Hydrogen Bonds
inferred← citeshttps://doi.org/10.1021/jp074927yopenalex-snapshot
Formamide Dimers: A Computational and Matrix Isolation Study
inferred← citeshttps://doi.org/10.1021/jp404540xopenalex-snapshot
From Formamide to Purine: A Self-Catalyzed Reaction Pathway Provides a Feasible Mechanism for the Entire Process
inferred← citeshttps://doi.org/10.1021/jp509100uopenalex-snapshot
Density Functional Theory Study of the Oligomerization of Carboxylic Acids
inferred← citeshttps://doi.org/10.1021/jp710583nopenalex-snapshot
An Approach to Hydration of Model Silica Materials by Exploring Their Multiple Minima Hypersurfaces. The Role of Entropy of Association
inferred← citeshttps://doi.org/10.1021/jp7112363openalex-snapshot
Benchmark Data for Interactions in Zeolite Model Complexes and Their Use for Assessment and Validation of Electronic Structure Methods
inferred← citeshttps://doi.org/10.1039/b905779jopenalex-snapshot
MMH-2 as a new approach for the prediction of intermolecular interactions: the crystal packing of acetamide
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1039/c1cp20743aopenalex-snapshot
CH stretching vibration of N-methylformamide as a sensitive probe of its complexation: infrared matrix isolation and computational study
inferred← citeshttps://doi.org/10.1039/d2ra05391hopenalex-snapshot
Role of O–H⋯O/S conventional hydrogen bonds in considerable C sp 2 –H blue-shift in the binary systems of acetaldehyde and thioacetaldehyde with substituted carboxylic and thiocarboxylic acids
inferred← citeshttps://doi.org/10.1063/1.3501356openalex-snapshot
Microwave spectrum and structural parameters for the formamide-formic acid dimer
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