| Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint AE Reed, LA Curtiss, F Weinhold Chemical Reviews 88 (6), 899-926, 1988 | 18110 | 1988 |
| Gaussian‐2 theory for molecular energies of first‐and second‐row compounds LA Curtiss, K Raghavachari, GW Trucks, JA Pople The Journal of chemical physics 94 (11), 7221-7230, 1991 | 4018 | 1991 |
| Gaussian-3 (G3) theory for molecules containing first and second-row atoms LA Curtiss, K Raghavachari, PC Redfern, V Rassolov, JA Pople The Journal of chemical physics 109 (18), 7764-7776, 1998 | 3212 | 1998 |
| Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation LA Curtiss, K Raghavachari, PC Redfern, JA Pople The Journal of Chemical Physics 106 (3), 1063-1079, 1997 | 2510 | 1997 |
| 6‐31G* basis set for third‐row atoms VA Rassolov, MA Ratner, JA Pople, PC Redfern, LA Curtiss Journal of Computational Chemistry 22 (9), 976-984, 2001 | 2228 | 2001 |
| Gaussian-4 theory LA Curtiss, PC Redfern, K Raghavachari The Journal of chemical physics 126 (8), 084108, 2007 | 1954 | 2007 |
| Gaussian‐1 theory: A general procedure for prediction of molecular energies JA Pople, M Head‐Gordon, DJ Fox, K Raghavachari, LA Curtiss The Journal of Chemical Physics 90 (10), 5622-5629, 1989 | 1920 | 1989 |
| Gaussian-3 theory using density functional geometries and zero-point energies AG Baboul, LA Curtiss, PC Redfern, K Raghavachari The Journal of chemical physics 110 (16), 7650-7657, 1999 | 1881 | 1999 |
| Gaussian‐2 theory using reduced Mo/ller–Plesset orders LA Curtiss, K Raghavachari, JA Pople The Journal of chemical physics 98 (2), 1293-1298, 1993 | 1402 | 1993 |
| Gaussian-3 theory using reduced Mo/ller-Plesset order LA Curtiss, PC Redfern, K Raghavachari, V Rassolov, JA Pople The Journal of chemical physics 110 (10), 4703-4709, 1999 | 1367 | 1999 |
| Compact contracted basis sets for third‐row atoms: Ga–Kr RC Binning Jr, LA Curtiss Journal of Computational Chemistry 11 (10), 1206-1216, 1990 | 1270 | 1990 |
| Extension of Gaussian‐2 theory to molecules containing third‐row atoms Ga–Kr LA Curtiss, MP McGrath, JP Blaudeau, NE Davis, RC Binning Jr, L Radom The Journal of Chemical Physics 103 (14), 6104-6113, 1995 | 1176 | 1995 |
| Extension of Gaussian-2 (G2) theory to molecules containing third-row atoms K and Ca JP Blaudeau, MP McGrath, LA Curtiss, L Radom The Journal of chemical physics 107 (13), 5016-5021, 1997 | 972 | 1997 |
| Gaussian‐1 theory of molecular energies for second‐row compounds LA Curtiss, C Jones, GW Trucks, K Raghavachari, JA Pople The Journal of Chemical Physics 93 (4), 2537-2545, 1990 | 925 | 1990 |
| Studies of molecular association in H2O and D2O vapors by measurement of thermal conductivity LA Curtiss, DJ Frurip, M Blander The Journal of Chemical Physics 71 (6), 2703-2711, 1979 | 869 | 1979 |
| Assessment of Gaussian-3 and density functional theories for a larger experimental test set LA Curtiss, K Raghavachari, PC Redfern, JA Pople The Journal of chemical physics 112 (17), 7374-7383, 2000 | 860 | 2000 |
| Increased silver activity for direct propylene epoxidation via subnanometer size effects Y Lei, F Mehmood, S Lee, J Greeley, B Lee, S Seifert, RE Winans, ... Science 328 (5975), 224-228, 2010 | 837 | 2010 |
| Subnanometre platinum clusters as highly active and selective catalysts for the oxidative dehydrogenation of propane S Vajda, MJ Pellin, JP Greeley, CL Marshall, LA Curtiss, GA Ballentine, ... Nature materials 8 (3), 213-216, 2009 | 785 | 2009 |
| Nanostructured transition metal dichalcogenide electrocatalysts for CO2 reduction in ionic liquid M Asadi, K Kim, C Liu, AV Addepalli, P Abbasi, P Yasaei, P Phillips, ... Science 353 (6298), 467-470, 2016 | 770 | 2016 |
| Prediction of TiO2 Nanoparticle Phase and Shape Transitions Controlled by Surface Chemistry AS Barnard, LA Curtiss Nano letters 5 (7), 1261-1266, 2005 | 734 | 2005 |
Rajeev S. AssaryGroup Leader/Scientist, Molecular Materials, Materials Science Division, Argonne National LaboratoryVerified email at anl.gov
