Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers (Q51076506)

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scientific article published on 18 June 2014

Language	Label	Description	Also known as
English	Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers	scientific article published on 18 June 2014

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

28 March 2018

http://europepmc.org/abstract/MED/24939466

Rovibrational energy and spectroscopic constant calculations of CH4⋯CH4, CH4⋯H2O, CH4⋯CHF3, and H2O⋯CHF3 dimers (English)

1 reference

Europe PubMed Central

PubMed publication ID

28 March 2018

http://europepmc.org/abstract/MED/24939466

1 reference

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inferred from title

Alessandra F Albernaz

5

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

Joao B. L. Martins

6

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

Ricardo Gargano

2

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Ricardo Gargano

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

author name string

Wiliam F Cunha

1

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

Edgardo Garcia

3

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

José R S Politi

4

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

publication date

18 June 2014

1 reference

Europe PubMed Central

PubMed publication ID

28 March 2018

http://europepmc.org/abstract/MED/24939466

Journal of Molecular Modeling

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Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

20

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9 June 2020

7

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9 June 2020

2298

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9 June 2020

Unexpectedly strong energy stabilization inside the hydrophobic core of small protein rubredoxin mediated by aromatic residues: correlated ab initio quantum chemical calculations

1 reference

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Representative Amino Acid Side Chain Interactions in Proteins. A Comparison of Highly Accurate Correlated ab Initio Quantum Chemical and Empirical Potential Procedures

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Accuracy of Several Wave Function and Density Functional Theory Methods for Description of Noncovalent Interaction of Saturated and Unsaturated Hydrocarbon Dimers

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21 January 2018

Stark coefficients for highly excited rovibrational states of H2O.

1 reference

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The greenhouse and antigreenhouse effects on Titan

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21 January 2018

https://pubmed.ncbi.nlm.nih.gov/24939466

12 December 2020

based on heuristic

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Theoretical study of CH4-CH4, CHF3-CH4, CH4-H2O, and CHF3-H2O dimers

1 reference

https://api.crossref.org/works/10.1007%2FS00894-014-2298-1

21 January 2018

Potential energy surface and second virial coefficient of methane-water from ab initio calculations

1 reference

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21 January 2018

CCSD[T] Describes Noncovalent Interactions Better than the CCSD(T), CCSD(TQ), and CCSDT Methods

1 reference

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21 January 2018

Appropriate description of intermolecular interactions in the methane hydrates: an assessment of DFT methods

1 reference

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Through-space spin-spin coupling in van der Waals dimers and CH/pi interacting systems. An ab initio and DFT study

1 reference

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21 January 2018

Ab initio dipole moment and theoretical rovibrational intensities in the electronic ground state of PH3

1 reference

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21 January 2018

Hydrocarbon/Water Interactions: Encouraging Energetics and Structures from DFT but Disconcerting Discrepancies for Hessian Indices

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparative performance of exchange and correlation density functionals in determining intermolecular interaction potentials of the methane dimer

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Competitive role of CH4-CH4 and CH-π interactions in C6H6-(CH4)n aggregates: the transition from dimer to cluster features

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory

1 reference

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12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Does fluoromethane form a hydrogen bond with water?

1 reference

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inferred from PubMed ID database lookup

Inelastic neutron scattering and molecular dynamics determination of the interaction potential in liquid CD4

1 reference

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inferred from PubMed ID database lookup

Identifiers

10.1007/S00894-014-2298-1

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24939466%20AND%20SRC:MED&resulttype=core&format=json

9 June 2020

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