These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
258 related articles for article (PubMed ID: 25084889)
1. Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition. Parrish RM; Sherrill CD J Chem Phys; 2014 Jul; 141(4):044115. PubMed ID: 25084889 [TBL] [Abstract][Full Text] [Related]
2. Chemical Assignment of Symmetry-Adapted Perturbation Theory Interaction Energy Components: The Functional-Group SAPT Partition. Parrish RM; Parker TM; Sherrill CD J Chem Theory Comput; 2014 Oct; 10(10):4417-31. PubMed ID: 26588139 [TBL] [Abstract][Full Text] [Related]
3. Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: investigating the fundamental forces of DNA-intercalator interactions. Hohenstein EG; Parrish RM; Sherrill CD; Turney JM; Schaefer HF J Chem Phys; 2011 Nov; 135(17):174107. PubMed ID: 22070292 [TBL] [Abstract][Full Text] [Related]
4. Energy component analysis of π interactions. Sherrill CD Acc Chem Res; 2013 Apr; 46(4):1020-8. PubMed ID: 23020662 [TBL] [Abstract][Full Text] [Related]
6. Predicting and Understanding Non-Covalent Interactions Using Novel Forms of Symmetry-Adapted Perturbation Theory. Carter-Fenk K; Lao KU; Herbert JM Acc Chem Res; 2021 Oct; 54(19):3679-3690. PubMed ID: 34550669 [TBL] [Abstract][Full Text] [Related]
7. Optimization of damping function parameters for -D3 and -D4 dispersion models for Hartree-Fock based symmetry-adapted perturbation theory. Wallace AM; Sherrill CD J Chem Phys; 2024 Sep; 161(11):. PubMed ID: 39291687 [TBL] [Abstract][Full Text] [Related]
8. Optimized damping parameters for empirical dispersion corrections to symmetry-adapted perturbation theory. Schriber JB; Sirianni DA; Smith DGA; Burns LA; Sitkoff D; Cheney DL; Sherrill CD J Chem Phys; 2021 Jun; 154(23):234107. PubMed ID: 34241276 [TBL] [Abstract][Full Text] [Related]
9. An improved treatment of empirical dispersion and a many-body energy decomposition scheme for the explicit polarization plus symmetry-adapted perturbation theory (XSAPT) method. Lao KU; Herbert JM J Chem Phys; 2013 Jul; 139(3):034107. PubMed ID: 23883010 [TBL] [Abstract][Full Text] [Related]
10. Cation-π interactions: accurate intermolecular potential from symmetry-adapted perturbation theory. Ansorg K; Tafipolsky M; Engels B J Phys Chem B; 2013 Sep; 117(35):10093-102. PubMed ID: 23924321 [TBL] [Abstract][Full Text] [Related]
11. Symmetry-Adapted Perturbation-Theory Interaction-Energy Decomposition for Hydrogen-Bonded and Stacking Structures. Cybulski H; Sadlej J J Chem Theory Comput; 2008 Jun; 4(6):892-7. PubMed ID: 26621230 [TBL] [Abstract][Full Text] [Related]
12. Linear-scaling symmetry-adapted perturbation theory with scaled dispersion. Maurer SA; Beer M; Lambrecht DS; Ochsenfeld C J Chem Phys; 2013 Nov; 139(18):184104. PubMed ID: 24320251 [TBL] [Abstract][Full Text] [Related]
13. Large-Scale Functional Group Symmetry-Adapted Perturbation Theory on Graphical Processing Units. Parrish RM; Thompson KC; Martínez TJ J Chem Theory Comput; 2018 Mar; 14(3):1737-1753. PubMed ID: 29345933 [TBL] [Abstract][Full Text] [Related]
14. Frozen core and effective core potentials in symmetry-adapted perturbation theory. Patkowski K; Szalewicz K J Chem Phys; 2007 Oct; 127(16):164103. PubMed ID: 17979315 [TBL] [Abstract][Full Text] [Related]
15. Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies. Parker TM; Burns LA; Parrish RM; Ryno AG; Sherrill CD J Chem Phys; 2014 Mar; 140(9):094106. PubMed ID: 24606352 [TBL] [Abstract][Full Text] [Related]
16. Rapid computation of intermolecular interactions in molecular and ionic clusters: self-consistent polarization plus symmetry-adapted perturbation theory. Herbert JM; Jacobson LD; Lao KU; Rohrdanz MA Phys Chem Chem Phys; 2012 Jun; 14(21):7679-99. PubMed ID: 22511183 [TBL] [Abstract][Full Text] [Related]
17. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations. Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035 [TBL] [Abstract][Full Text] [Related]
19. Accurate and efficient quantum chemistry calculations for noncovalent interactions in many-body systems: the XSAPT family of methods. Lao KU; Herbert JM J Phys Chem A; 2015 Jan; 119(2):235-52. PubMed ID: 25408114 [TBL] [Abstract][Full Text] [Related]
20. Density-fitted open-shell symmetry-adapted perturbation theory and application to π-stacking in benzene dimer cation and ionized DNA base pair steps. Gonthier JF; Sherrill CD J Chem Phys; 2016 Oct; 145(13):134106. PubMed ID: 27782424 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]