E Papajak

E Papajak

NASA Ames Research Center - California / United States
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 4394798
NASA Ames
person_outline E Papajak's MOST POPULAR ARTICLES
1-) Perspectives on basis sets beautiful: Seasonal plantings of diffuse basis functionsE Papajak, J Zheng, X Xu, HR Leverentz, DG TruhlarJournal of chemical theory and computation 7 (10), 3027-3034, 20115092011
2-) Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZE Papajak, HR Leverentz, J Zheng, DG TruhlarJournal of chemical theory and computation 5 (5), 1197-1202, 20092682009
3-) Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: The internal-coordinate multi-structural approximationJ Zheng, T Yu, E Papajak, IM Alecu, SL Mielke, DG TruhlarPhysical Chemistry Chemical Physics 13 (23), 10885-10907, 20112122011
4-) Convergent partially augmented basis sets for post-hartree− fock calculations of molecular properties and reaction barrier heightsE Papajak, DG TruhlarJournal of chemical theory and computation 7 (1), 10-18, 20112522011
5-) Efficient diffuse basis sets for density functional theoryE Papajak, DG TruhlarJournal of chemical theory and computation 6 (3), 597-601, 20101862010