| 5605 - 5606 |
Introduction: Calculations on Large Systems
Gordon MS, Slipchenko LV |
| 5607 - 5642 |
Energy-Based Molecular Fragmentation Methods
Collins MA, Bettens RPA |
| 5643 - 5677 |
Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules
Raghavachari K, Saha A |
| 5678 - 5796 |
The ONIOM Method and Its Applications
Chung LW, Sameera WMC, Ramozzi R, Page AJ, Hatanaka M, Petrova GP, Harris TV, Li X, Ke ZF, Liu FY, Li HB, Ding LN, Morokuma K |
| 5797 - 5890 |
Large-Scale Computations in Chemistry: A Bird's Eye View of a Vibrant Field
Akimov AV, Prezhdo OV |
| 5891 - 5928 |
Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure
Wesolowski TA, Shedge S, Zhou XW |
| 5929 - 5978 |
Light-Driven and Phonon-Assisted Dynamics in Organic and Semiconductor Nanostructures
Kilina S, Kilin D, Tretiak S |
| 5979 - 6050 |
Kinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reaction-Diffusion Processes: 1D Nanoporous and 2D Surface Systems
Liu DJ, Garcia A, Wang J, Ackerman DM, Wang CJ, Evans JW |
| 6051 - 6111 |
Quantum-Chemical Characterization of the Properties and Reactivities of Metal-Organic Frameworks
Odoh SO, Cramer CJ, Truhlar DG, Gagliardi L |
| 6112 - 6216 |
Quantum Mechanical Studies of Large Metal, Metal Oxide, and Metal Chalcogenide Nanoparticles and Clusters
Fernando A, Dimuthu KL, Weerawardene M, Karimova NV, Aikens CM |
| 6217 - 6263 |
Mixed Quantum Mechanical/Molecular Mechanical Molecular Dynamics Simulations of Biological Systems in Ground and Electronically Excited States
Brunk E, Rothlisberger U |
