| Accurate ab initio quantum chemical determination of the relative energetics of peptide conformations and assessment of empirical force fields MD Beachy, D Chasman, RB Murphy, TA Halgren, RA Friesner Journal of the American Chemical Society 119 (25), 5908-5920, 1997 | 403 | 1997 |
| Correlated ab initio electronic structure calculations for large molecules RA Friesner, RB Murphy, MD Beachy, MN Ringnalda, WT Pollard, ... The Journal of Physical Chemistry A 103 (13), 1913-1928, 1999 | 356 | 1999 |
| Large scale ab initio quantum chemical calculation of the intermediates in the soluble methane monooxygenase catalytic cycle BD Dunietz, MD Beachy, Y Cao, DA Whittington, SJ Lippard, RA Friesner Journal of the American Chemical Society 122 (12), 2828-2839, 2000 | 217 | 2000 |
| Pseudospectral localized Mo/ller–Plesset methods: Theory and calculation of conformational energies RB Murphy, MD Beachy, RA Friesner, MN Ringnalda The Journal of chemical physics 103 (4), 1481-1490, 1995 | 213 | 1995 |
| Quantum mechanical calculations on biological systems RA Friesner, MD Beachy Current opinion in structural biology 8 (2), 257-262, 1998 | 149 | 1998 |
| Accurate modeling of scaffold hopping transformations in drug discovery L Wang, Y Deng, Y Wu, B Kim, DN LeBard, D Wandschneider, M Beachy, ... Journal of chemical theory and computation 13 (1), 42-54, 2017 | 140 | 2017 |
| Synthesis of norbornenes containing tin (II), tin (IV), lead (II), and zinc (II) and their polymerization to give microphase-separated block copolymers CC Cummins, MD Beachy, RR Schrock, MG Vale, V Sankaran, RE Cohen Chemistry of materials 3 (6), 1153-1163, 1991 | 80 | 1991 |
| Mechanistic and Theoretical Analysis of the Oxidative Addition of H2 to Six-Coordinate Molybdenum and Tungsten Complexes M(PMe3)4X2 (M = Mo, W; X = F … T Hascall, D Rabinovich, VJ Murphy, MD Beachy, RA Friesner, G Parkin Journal of the American Chemical Society 121 (49), 11402-11417, 1999 | 79 | 1999 |
| Quantum mechanical geometry optimization in solution using a finite element continuum electrostatics method CM Cortis, JM Langlois, MD Beachy, RA Friesner The Journal of chemical physics 105 (13), 5472-5484, 1996 | 57 | 1996 |
| Efficient pseudospectral methods for density functional calculations RB Murphy, Y Cao, MD Beachy, MN Ringnalda, RA Friesner The Journal of Chemical Physics 112 (23), 10131-10141, 2000 | 44 | 2000 |
| Nuclear-magnetic-resonance shielding constants calculated by pseudospectral methods Y Cao, MD Beachy, DA Braden, L Morrill, MN Ringnalda, RA Friesner The Journal of chemical physics 122 (22), 2005 | 40 | 2005 |
| Parallel pseudospectral electronic structure: I. Hartree–Fock calculations D Chasman, MD Beachy, L Wang, RA Friesner Journal of computational chemistry 19 (9), 1017-1029, 1998 | 27 | 1998 |
| Parallel pseudospectral electronic structure: II. Localized Møller–Plesset calculations MD Beachy, D Chasman, RA Friesner, RB Murphy Journal of computational chemistry 19 (9), 1030-1038, 1998 | 23 | 1998 |
| Quantum chemical package Jaguar: A survey of recent developments and unique features Y Cao, T Balduf, MD Beachy, MC Bennett, AD Bochevarov, A Chien, ... The Journal of Chemical Physics 161 (5), 2024 | 3 | 2024 |
| A comparison of the oxidative addition of CH and HH bonds to molybdenum and tungsten: An unprecedented halide dependence. T Hascall, D Rabinovich, VJ Murphy, MD Beachy, RA Friesner, G Parkin ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 217, U1066-U1066, 1999 | | 1999 |
| Parallelization and applications of pseudospectral electronic structure theory MD Beachy Columbia University, 1998 | | 1998 |
