Martin Klessinger - Related publications

Affiliations: 
1971-1999 Westfälische Wilhelms-Universität Münster, Münster, Nordrhein-Westfalen, Germany 
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9 most relevant papers in past 60 days:
Year Citation  Score
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 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 Jin P, Wang X, Pan H, Chen J. One order of magnitude increase of triplet state lifetime observed in deprotonated form selenium substituted uracil. Physical Chemistry Chemical Physics : Pccp. 24: 875-882. PMID 34908064 DOI: 10.1039/d1cp04811b   
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 Wang F, Ji X, Ying F, Zhang J, Zhao C, Xie J. Computational Studies of Coinage Metal Anion M + CHX (X = F, Cl, Br, I) Reactions in Gas Phase. Molecules (Basel, Switzerland). 27. PMID 35011542 DOI: 10.3390/molecules27010307   
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 Wang Y, Li X, Sun X. The transformation mechanism and eco-toxicity evaluation of butylated hydroxyanisole in environment. Ecotoxicology and Environmental Safety. 231: 113179. PMID 35026586 DOI: 10.1016/j.ecoenv.2022.113179   
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