(Q58738601)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

title

Basis set convergence of post-CCSD contributions to molecular atomization energies (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

Jan M.L. Martin

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

author name string

Peter R Taylor

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

language of work or name

English

0 references

publication date

1 August 2007

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

Journal of Chemical Physics

3 January 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

volume

127

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

issue

6

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

3 January 2020

page(s)

064104

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:17705585%20AND%20SRC:MED&resulttype=core&format=json

Heats of formation of perchloric acid, HClO4, and perchloric anhydride, Cl2O7. Probing the limits of W1 and W2 theory

3 January 2020

cites work

1 reference

Basis-set convergence in correlated calculations on Ne, N2, and H2O

21 January 2018

1 reference

Ab initio total atomization energies of small molecules — towards the basis set limit

21 January 2018

1 reference

A fifth-order perturbation comparison of electron correlation theories

21 January 2018

1 reference

W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions

21 January 2018

1 reference

Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory

21 January 2018

1 reference

Assessment of W1 and W2 theories for the computation of electron affinities, ionization potentials, heats of formation, and proton affinities

21 January 2018

1 reference

W3 theory: robust computational thermochemistry in the kJ/mol accuracy range

21 January 2018

1 reference

High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification

21 January 2018

1 reference

PSI3: an open-source Ab Initio electronic structure package

21 January 2018

1 reference

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

21 January 2018

1 reference

Approximate treatment of higher excitations in coupled-cluster theory.

21 January 2018

1 reference

The X1Sigmag+, B1Deltag, and B' 1Sigmag+ states of C2: a comparison of renormalized coupled-cluster and multireference methods with full configuration interaction benchmarks.

21 January 2018

1 reference

The lowest singlet-triplet excitation energy of BN: A converged coupled cluster perspective

21 January 2018

1 reference

Heats of Formation of Beryllium, Boron, Aluminum, and Silicon Re-examined by Means of W4 Theory

21 January 2018

1 reference

Benchmark atomization energy of ethane: Importance of accurate zero-point vibrational energies and diagonal Born–Oppenheimer corrections for a ‘simple’ organic molecule

21 January 2018

1 reference

Basis set convergence for geometry and harmonic frequencies. Are h functions enough?

21 January 2018

1 reference

Basis set convergence study of the atomization energy, geometry, and anharmonic force field of SO2: The importance of inner polarization functions

21 January 2018

1 reference

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I

21 January 2018

1 reference

Active Thermochemical Tables: thermochemistry for the 21st century

21 January 2018

1 reference