| 895 - 902 |
Toward a Holistic Understanding of the Formation and Growth of Atmospheric Molecular Clusters: A Quantum Machine Learning Perspective
Elm J |
| 903 - 919 |
Near-IR Charge-Transfer Emission at 77 K and Density Functional Theory Modeling of Ruthenium(II)-Dipyrrinato Chromophores: High Phosphorescence Efficiency of the Emitting State Related to Spin-Orbit Coupling Mediation of Intensity from Numerous Low-Energy Singlet Excited States
Lu IC, Tsai CN, Lin YT, Hung SY, Chao VPS, Yin CW, Luo DW, Chen HY, Endicott JF, Chen YJ |
| 920 - 932 |
Computational Study of Actinyl Ion Complexation with Dipyriamethyrin Macrocyclic Ligands
Varathan E, Gao Y, Schreckenbach G |
| 933 - 942 |
How Long Can A C-C sigma-Single Bond Be?
Yang JX, Wang YA |
| 943 - 953 |
Through-Space Exciton Delocalization in Segregated HJ-Crystalline Molecular Aggregates
Wei YC, Shen SW, Wu CH, Ho SY, Zhang ZY, Wu CI, Chou PT |
| 954 - 965 |
Adsorption Mechanism of Methylene Blue by Graphene Oxide-Shielded Mg-Al-Layered Double Hydroxide From Synthetic Wastewater
Dhar L, Hossain S, Rahman MS, Quraishi SB, Saha K, Rahman F, Rahman MT |
| 966 - 972 |
Energy-Selective Decomposition of Organometallic Compounds by Slow Electrons: The Case of Chloro(dimethyl sulfide)gold(I)
Kopyra J, Rabilloud F, Wierzbicka P, Abdoul-Carime H |
| 973 - 979 |
Free-Radical-Initiated Phospholipid Oxidations at the Air-Water Interface: The Oxidation of Unsaturated and Saturated Fatty Acid Chains
Wang J, Zhang XX |
| 980 - 989 |
HDO-CO Complex: D-Bonded and H-Bonded Isomers and Intra- and Intermolecular Rovibrational States from Full-Dimensional and Fully Coupled Quantum Calculations
Felker PM, Bacic Z |
| 990 - 998 |
VCI Calculations Based on Canonical and Localized Normal Coordinates for Non-Abelian Molecules: Accurate Assignment of the Vibrational Overtones of Allene
Mathea T, Petrenko T, Rauhut G |
| 999 - 1011 |
Caralumane Superacids of Lewis and Bronsted Character
Brzeski J, Skurski P, Simons J |
| 1012 - 1024 |
Role of Conical Intersections on the Efficiency of Fluorescent Organic Molecular Crystals
Rivera M, Stojanovic L, Crespo-Otero R |
| 1025 - 1035 |
Enhanced Adsorption of Anionic Polymer on Montmorillonite by Divalent Cations and the Effect of Salinity
Sun WY, Zeng HB, Tang T |
| 1036 - 1049 |
Chemistry and Photochemistry of Pyruvic Acid at the Air-Water Interface
Kappes KJ, Deal AM, Jespersen MF, Blair SL, Doussin JF, Cazaunau M, Pangui E, Hopper BN, Johnson MS, Vaida V |
| 1050 - 1061 |
Atmospheric Chemistry of c-C5HF7 and c-C5F8: Temperature-Dependent OH Reaction Rate Coefficients, Degradation Products, Infrared Spectra, and Global Warming Potentials
Gierczak T, Bernard F, Papanastasiou DK, Burkholder JB |
| 1062 - 1068 |
Near-Infrared Spectra of High-Density Crystalline H2O Ices II, IV, V, VI, IX, and XII
Tonauer CM, Kock EM, Gasser TM, Fuentes-Landete V, Henn R, Mayr S, Kirchler CG, Huck CW, Loerting T |
| 1069 - 1081 |
Operando XPS: A Novel Approach for Probing the Lithium/Electrolyte Interphase Dynamic Evolution
Benayad A, Morales-Ugarte JE, Santini CC, Bouchet R |
| 1082 - 1092 |
Autonomous Discovery of Unknown Reaction Pathways from Data by Chemical Reaction Neural Network
Ji WQ, Deng SL |
| 1093 - 1102 |
Second Linear Response Theory and the Analytic Calculation of Excited-State Properties
Mosquera MA, Jones LO, Kang G, Ratner MA, Schatz GC |
| 1103 - 1115 |
Systematic Generation of the Dunham Coefficients Using Symbolic Mathematics Software
Hoffman GG |
