| The Molpro quantum chemistry package HJ Werner, PJ Knowles, FR Manby, JA Black, K Doll, A Heßelmann, ... The Journal of chemical physics 152 (14), 2020 | 935 | 2020 |
| Explicitly correlated local coupled‐cluster methods using pair natural orbitals Q Ma, HJ Werner Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (6), e1371, 2018 | 192 | 2018 |
| Scalable electron correlation methods. 3. Efficient and accurate parallel local coupled cluster with pair natural orbitals (PNO-LCCSD) M Schwilk, Q Ma, C Köppl, HJ Werner Journal of Chemical Theory and Computation 13 (8), 3650-3675, 2017 | 162 | 2017 |
| Scalable electron correlation methods. 4. Parallel explicitly correlated local coupled cluster with pair natural orbitals (PNO-LCCSD-F12) Q Ma, M Schwilk, C Köppl, HJ Werner Journal of chemical theory and computation 13 (10), 4871-4896, 2017 | 122 | 2017 |
| Scalable electron correlation methods. 5. Parallel perturbative triples correction for explicitly correlated local coupled cluster with pair natural orbitals Q Ma, HJ Werner Journal of Chemical Theory and Computation 14 (1), 198-215, 2018 | 109 | 2018 |
| Scalable electron correlation methods. 2. Parallel PNO-LMP2-F12 with near linear scaling in the molecular size Q Ma, HJ Werner Journal of Chemical Theory and Computation 11 (11), 5291-5304, 2015 | 86 | 2015 |
| Kinetic model of atomic and molecular emissions in laser-induced breakdown spectroscopy of organic compounds Q Ma, PJ Dagdigian Analytical and bioanalytical chemistry 400, 3193-3205, 2011 | 61 | 2011 |
| Accurate intermolecular interaction energies using explicitly correlated local coupled cluster methods [PNO-LCCSD (T)-F12] Q Ma, HJ Werner Journal of Chemical Theory and Computation 15 (2), 1044-1052, 2019 | 49 | 2019 |
| Rotationally inelastic scattering of OH by molecular hydrogen: Theory and experiment HC Schewe, Q Ma, N Vanhaecke, X Wang, J Kłos, MH Alexander, ... The Journal of chemical physics 142 (20), 2015 | 44 | 2015 |
| Resonances in rotationally inelastic scattering of NH3 and ND3 with H2 Q Ma, A Van der Avoird, J Loreau, MH Alexander, SYT van de Meerakker, ... The Journal of Chemical Physics 143 (4), 2015 | 43 | 2015 |
| Scalable electron correlation methods. 8. Explicitly correlated open-shell coupled-cluster with pair natural orbitals PNO-RCCSD (T)-F12 and PNO-UCCSD (T)-F12 Q Ma, HJ Werner Journal of Chemical Theory and Computation 17 (2), 902-926, 2021 | 36 | 2021 |
| Scalable electron correlation methods. 7. Local open-shell coupled-cluster methods using pair natural orbitals: PNO-RCCSD and PNO-UCCSD Q Ma, HJ Werner Journal of Chemical Theory and Computation 16 (5), 3135-3151, 2020 | 34 | 2020 |
| The interaction of OH (X2Π) with H2: Ab initio potential energy surfaces and bound states Q Ma, J Kłos, MH Alexander, A van der Avoird, PJ Dagdigian The Journal of Chemical Physics 141 (17), 2014 | 33 | 2014 |
| Resonances in rotationally inelastic scattering of OH (X2Π) with helium and neon KB Gubbels, Q Ma, MH Alexander, PJ Dagdigian, D Tanis, ... The Journal of Chemical Physics 136 (14), 2012 | 30 | 2012 |
| The interaction of NO (X2Π) with H2: Ab initio potential energy surfaces and bound states J Kłos, Q Ma, MH Alexander, PJ Dagdigian The Journal of chemical physics 146 (11), 2017 | 28 | 2017 |
| Rotationally inelastic scattering of ND3 with H2 as a probe of the intermolecular potential energy surface O Tkáč, AK Saha, J Loreau, Q Ma, PJ Dagdigian, DH Parker, ... Molecular Physics 113 (24), 3925-3933, 2015 | 27 | 2015 |
| Differential and integral cross sections for the rotationally inelastic scattering of methyl radicals with H2 and D2 O Tkáč, Q Ma, CA Rusher, SJ Greaves, AJ Orr-Ewing, PJ Dagdigian The Journal of Chemical Physics 140 (20), 2014 | 23 | 2014 |
| Rotationally inelastic scattering of CD 3 and CH 3 with He: comparison of velocity map-imaging data with quantum scattering calculations O Tkáč, AG Sage, SJ Greaves, AJ Orr-Ewing, PJ Dagdigian, Q Ma, ... Chemical Science 4 (11), 4199-4211, 2013 | 23 | 2013 |
| Rotationally inelastic scattering of methyl radicals with Ar and N2 O Tkáč, Q Ma, M Stei, AJ Orr-Ewing, PJ Dagdigian The Journal of chemical physics 142 (1), 2015 | 20 | 2015 |
| Theoretical study of the vibrational relaxation of the methyl radical in collisions with helium Q Ma, PJ Dagdigian, MH Alexander The Journal of Chemical Physics 138 (10), 2013 | 18 | 2013 |
