| Publication Date | Article Title | Author(s) |
| 21-Dec-2016 | Theory of molecular conductance using a modular approach | Hsu, Liang-Yan; Rabitz, Herschel |
| 21-Dec-2016 | Performance of a nonempirical density functional on molecules and hydrogen-bonded complexes | Mo, Yuxiang; Tian, Guocai; Car, Roberto; Staroverov, Viktor N.; Scuseria, Gustavo E.; et al |
| 7-Dec-2016 | Discovery and mechanistic study of a photocatalytic indoline dehydrogenation for the synthesis of elbasvir | Yayla, Hatice G.; Peng, Feng; Mangion, Ian K.; McLaughlin, Mark; Campeau, Louis-Charles; et al |
| Dec-2016 | Topological Nonsymmorphic Metals from Band Inversion | Muechler, Lukas; Alexandradinata, A.; Neupert, Titus; Car, Roberto |
| Dec-2016 | Structural Characterization and Statistical-Mechanical Model of Epidermal Patterns | Chen, Duyu; Aw, Wen Yih; Devenport, Danelle; Torquato, Salvatore |
| Dec-2016 | The Perfect Glass Paradigm: Disordered Hyperuniform Glasses Down to Absolute Zero | Zhang, Ge; Stillinger, Frank H.; Torquato, Salvatore |
| 25-Nov-2016 | Dichotomy in ultrafast atomic dynamics as direct evidence of polaron formation in manganites | Li, Junjie; Yin, Weiguo; Wu, Lijun; Zhu, Pengfei; Konstantinova, Tatianna; et al |
| 15-Nov-2016 | A well-scaling natural orbital theory | Gebauer, Ralph; Cohen, Morrel H.; Car, Roberto |
| 14-Nov-2016 | Dirac open-quantum-system dynamics: Formulations and simulations | Cabrera, Renan; Campos, Andre G.; Bondar, Denys I.; Rabitz, Herschel A. |
| 7-Nov-2016 | Estimation of damped oscillation associated spectra from ultrafast transient absorption spectra | van Stokkum, Ivo H.M.; van Stokkum, Ivo H.M.; van Stokkum, Ivo H.M.; van Stokkum, Ivo H.M.; van Stokkum, Ivo H.M.; et al |
| 3-Nov-2016 | Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide–palladium catalysts | Mitsushige, Yusuke; Carrow, Bradley P.; Ito, Shingo; Nozaki, Kyoko |
| Nov-2016 | Measurement of the topological surface state optical conductance in bulk-insulating Sn-doped Bi1.1Sb0.9Te2 S single crystals | Cheng, Bing; Wu, Liang; Kushwaha, Satya Kumar; Cava, Robert Joseph; Armitage, N. Peter |
| 28-Oct-2016 | Systems-level analysis of mechanisms regulating yeast metabolic flux | Hackett, SR; Zanotelli, VRT; Xu, W; Goya, J; Park, JO; et al |
| 1-Sep-2016 | Sampling-based robust control in synchronizing collision with shaped laser pulses: an application in charge transfer for H+ + D -> H + D+ | Zhang, Wei; Dong, Daoyi; Petersen, Ian R.; Rabitz, Herschel A. |
| 1-Sep-2016 | Binding and Inhibition of Spermidine Synthase from Plasmodium falciparum and Implications for In Vitro Inhibitor Testing | Sprenger, Janina; Carey, Jannette; Svensson, Bo; Wengel, Verena; Persson, Lo |
| Sep-2016 | Static structural signatures of nearly jammed disordered and ordered hard-sphere packings: Direct correlation function | Atkinson, Steven; Stillinger, Frank H.; Torquato, Salvatore |
| Sep-2016 | Spin dynamics and magnetic interactions of Mn dopants in the topological insulator Bi2Te3 | Zimmermann, S.; Steckel, Frank; Hess, Christian; Ji, Huiwen; Hor, Yew San; et al |
| Sep-2016 | Magneto-Optical Signature of Massless Kane Electrons in Cd3As2 | Akrap, A; Hakl, M; Tchoumakov, S; Crassee, I; Kuba, J; et al |
| 5-Aug-2016 | Beyond Dirac and Weyl fermions: Unconventional quasiparticles in conventional crystals | Bradlyn, Barry; Cano, Jennifer; Wang, Zhijun; Vergniory, MG; Felser, C; et al |
| 1-Aug-2016 | Report on the sixth blind test of organic crystal structure prediction methods | Reilly, Anthony M.; Cooper, Richard I.; Adjiman, Claire S.; Bhattacharya, Saswata; Boese, A. Daniel; et al |
