Julia E. Rice - Researcher Profile | RDL Research Database

Publications

2 shown

Derivation of Fixed Partial Charges for Amino Acids Accommodating a Specific Water Model and Implicit Polarization

David S. Cerutti , Julia E. Rice , William C. Swope +1 more

We have developed the IPolQ method for fitting nonpolarizable point charges to implicitly represent the energy of polarization for systems in pure water. The method involves ite...

2013 The Journal of Physical Chemistry B 115 citations

The closed-shell coupled cluster single and double excitation (CCSD) model for the description of electron correlation. A comparison with configuration interaction (CISD) results

Gustavo E. Scuseria , Andrew C. Scheiner , Timothy J. Lee +2 more

A single and double excitation coupled cluster (CCSD) method restricted to closed-shell single configuration reference functions is described in explicit detail. Some significan...

1987 The Journal of Chemical Physics 350 citations

Frequent Co-Authors

Researcher Info

h-index: 2
Publications: 2
Citations: 465
Institution: IBM (United States)

External Links

ORCID Profile Google Scholar

Identifiers

ORCID: 0000-0001-5059-5127

Impact Metrics

h-index 2

h-index: Number of publications with at least h citations each.