(Q59613779)

2

0 references

Frank J. Devlin

3

0 references

Peter R. Taylor

4

0 references

James R. Cheeseman

5

0 references

Michael J. Frisch

Atomic contributions to the optical rotation angle as a quantitative probe of molecular chirality.

6

0 references

publication date

May 2003

0 references

published in

Chemical Physics Letters

0 references

volume

373

0 references

issue

5-6

0 references

page(s)

606-614

0 references

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Prediction of optical rotation using density functional theory: 6,8-dioxabicyclo[3.2.1]octanes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Polarizable Continuum Model (PCM) Calculations of Solvent Effects on Optical Rotations of Chiral Molecules

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Determination of absolute configuration using optical rotation calculated using density functional theory

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Zero-point vibrational effects on optical rotation

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Optical rotation studied by density-functional and coupled-cluster methods

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

An improved method for density functional calculations of the frequency-dependent optical rotation

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Chiroptical properties from time-dependent density functional theory. II. Optical rotations of small to medium sized organic molecules

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Large‐scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Gauge invariant coupled cluster response theory

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5

Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0009-2614%2803%2900667-5