Samuel Francis Boys - Related publications
Affiliations: | University of Cambridge, Cambridge, England, United Kingdom |
Area:
molecular orbital calculationsWebsite:
http://www.jstor.org/stable/769557
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
8 most relevant papers in past 60 days:
8 most relevant papers in past 60 days:
| Year | Citation | Score | |
|---|---|---|---|
| 2022 | Xiang H, Tian L, Li Y, Song H. Energy- and Local-Gradient-Based Neural Network Method for Accurately Describing Long-Range Interaction: Application to the H + CO Reaction. The Journal of Physical Chemistry. A. PMID 34989591 DOI: 10.1021/acs.jpca.1c09719 | ||
| 2022 | Sillaste S, Thompson RB. Molecular Bonding in an Orbital-Free-Related Density Functional Theory. The Journal of Physical Chemistry. A. PMID 34994568 DOI: 10.1021/acs.jpca.1c07128 | ||
| 2022 | Wang K, Xie Z, Luo Z, Ma H. Low-Scaling Excited State Calculation Using the Block Interaction Product State. The Journal of Physical Chemistry Letters. 462-470. PMID 35015548 DOI: 10.1021/acs.jpclett.1c03445 | ||
| 2022 | Haldar S, Mukhopadhyay T, Dutta AK. A similarity transformed second-order approximate coupled cluster method for the excited states: Theory, implementation, and benchmark. The Journal of Chemical Physics. 156: 014110. PMID 34998329 DOI: 10.1063/5.0064889 | ||
| 2022 | Wetthasinghe ST, Li C, Lin H, Zhu T, Tang C, Rassolov V, Wang Q, Garashchuk S. Correlation between the Stability of Substituted Cobaltocenium and Molecular Descriptors. The Journal of Physical Chemistry. A. PMID 34974709 DOI: 10.1021/acs.jpca.1c10603 | ||
| 2022 | Chen H, Skylaris CK. Energy decomposition analysis method for metallic systems. Physical Chemistry Chemical Physics : Pccp. PMID 34982081 DOI: 10.1039/d1cp05112a | ||
| 2022 | Bím D, Navrátil M, Gutten O, Konvalinka J, Kutil Z, Culka M, Navrátil V, Alexandrova AN, Bařinka C, Rulíšek L. Predicting Effects of Site-Directed Mutagenesis on Enzyme Kinetics by QM/MM and QM Calculations: A Case of Glutamate Carboxypeptidase II. The Journal of Physical Chemistry. B. PMID 34978450 DOI: 10.1021/acs.jpcb.1c09240 | ||
| 2022 | Azimi S, Khuttan S, Wu JZ, Pal RK, Gallicchio E. Relative Binding Free Energy Calculations for Ligands with Diverse Scaffolds with the Alchemical Transfer Method. Journal of Chemical Information and Modeling. PMID 34990555 DOI: 10.1021/acs.jcim.1c01129 |