Donald G. Truhlar
- Current Status of Transition-State Theory
1996/01/01 by Donald G. Truhlar, Bruce C. Garrett, Stephen J. Klippenstein · 46 citations
Physics and Astronomy · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Quantum, superfluid, helium dynamics
- Status and Challenges of Density Functional Theory
2020/03/13 by Pragya Verma, Donald G. Truhlar · 8 citations
Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications #Zeolite Catalysis and Synthesis
- An Ancient Fingerprint Indicates the Common Ancestry of Rossmann-Fold Enzymes Utilizing Different Ribose-Based Cofactors
2016/03/03 by Paola Laurino, Ágnes Tóth-Petróczy, Rubén Meana‐Pañeda +3 · 1 voice · 3 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Biochemical and Molecular Research #Enzyme Structure and Function #RNA and protein synthesis mechanisms
- Density Matrix Renormalization Group Pair-Density Functional Theory\n (DMRG-PDFT): Singlet-Triplet Gaps in Polyacenes and Polyacetylenes
2018/08/19 by Prachi Sharma, Sharma, Prachi, Varinia Bernales +7 · 1 citation
Chemistry · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular spectroscopy and chirality #Solid-state spectroscopy and crystallography #Spectroscopy and Quantum Chemical Studies
- Multiconfiguration Pair-Density Functional Theory
2021/04/20 by Prachi Sharma, Jie J. Bao, Donald G. Truhlar +1 · 1 citation
Physics and Astronomy · Materials Science · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Machine Learning in Materials Science
- Transition state theory for enzyme kinetics
2015/05/23 by Donald G. Truhlar · 10 citations
Biochemistry, Genetics and Molecular Biology · #Protein Structure and Dynamics #Hemoglobin structure and function #Photosynthetic Processes and Mechanisms