Rohini C. Lochan, Ph.D.
Affiliations: | 2006 | University of California, Berkeley, Berkeley, CA, United States |
Area:
Theoretical ChemistryGoogle:
"Rohini Lochan"Mean distance: 8.7 | S | N | B | C | P |
Parents
Sign in to add mentor| Martin Head-Gordon | grad student | 2006 | UC Berkeley | |
| (Fast and accurate electronic structure methods for predicting molecular properties of large correlated systems.) | ||||
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215 |
| Kurlancheek W, Lochan R, Lawler K, et al. (2012) Exploring the competition between localization and delocalization of the neutral soliton defect in polyenyl chains with the orbital optimized second order opposite spin method. The Journal of Chemical Physics. 136: 054113 |
| Lochan RC, Khaliullin RZ, Head-Gordon M. (2008) Interaction of molecular hydrogen with open transition metal centers for enhanced binding in metal-organic frameworks: a computational study. Inorganic Chemistry. 47: 4032-44 |
| Benighaus T, DiStasio RA, Lochan RC, et al. (2008) Semiempirical double-hybrid density functional with improved description of long-range correlation. The Journal of Physical Chemistry. A. 112: 2702-12 |
| Lochan RC, Shao Y, Head-Gordon M. (2007) Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation Theory. Journal of Chemical Theory and Computation. 3: 988-1003 |
| Khaliullin RZ, Cobar EA, Lochan RC, et al. (2007) Unravelling the origin of intermolecular interactions using absolutely localized molecular orbitals. The Journal of Physical Chemistry. A. 111: 8753-65 |
| Lochan RC, Head-Gordon M. (2007) Orbital-optimized opposite-spin scaled second-order correlation: an economical method to improve the description of open-shell molecules. The Journal of Chemical Physics. 126: 164101 |
| Shao Y, Molnar LF, Jung Y, et al. (2006) Advances in methods and algorithms in a modern quantum chemistry program package. Physical Chemistry Chemical Physics : Pccp. 8: 3172-91 |
| Lochan RC, Head-Gordon M. (2006) Computational studies of molecular hydrogen binding affinities: the role of dispersion forces, electrostatics, and orbital interactions. Physical Chemistry Chemical Physics : Pccp. 8: 1357-70 |
| Rhee YM, DiStasio RA, Lochan RC, et al. (2006) Analytical gradient of restricted second-order Møller-Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex Chemical Physics Letters. 426: 197-203 |