asap [ASAP] Interfacial Phenomena of Purified Petroporphyrins and Their Impact on Asphaltene Interfacial Film Formation By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.9b04055 Full Article
asap [ASAP] Study on the Migration Characteristics of Sulfur and Nitrogen during Combustion of Oil Sludge with CaO Additive By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00545 Full Article
asap [ASAP] Influence of the Combination System of Wet Flue Gas Desulfurization and a Wet Electrostatic Precipitator on the Distribution of Polycyclic Aromatic Hydrocarbons in Flue Gas from a Coal-Fired Industrial Plant By feedproxy.google.com Published On :: Thu, 30 Apr 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00389 Full Article
asap [ASAP] Investigation on Ash-Fusion Characteristics of Livestock Manure and Low-Rank Coals By feedproxy.google.com Published On :: Fri, 01 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00587 Full Article
asap [ASAP] Reactive Transport Modeling of Shale–Fluid Interactions after Imbibition of Fracturing Fluids By feedproxy.google.com Published On :: Fri, 01 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.9b04542 Full Article
asap [ASAP] Chemical Looping Conversion of Gaseous and Liquid Fuels for Chemical Production: A Review By feedproxy.google.com Published On :: Sat, 02 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c01006 Full Article
asap [ASAP] Low Salinity Polymer Flooding: Effect on Polymer Rheology, Injectivity, Retention, and Oil Recovery Efficiency By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00393 Full Article
asap [ASAP] Investigation of Carbon Dioxide Absorption Using Different Functionalized Fe<sub>3</sub>O<sub>4</sub> Magnetic Nanoparticles By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00234 Full Article
asap [ASAP] Low-Salinity-Assisted Cationic Polyacrylamide Water Shutoff in Low-Permeability Sandstone Gas Reservoirs By feedproxy.google.com Published On :: Mon, 04 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00022 Full Article
asap [ASAP] Inhibited Phase Segregation to Enhance the Redox Performance of NiFe<sub>2</sub>O<sub>4</sub> via CeO<sub>2</sub> Modification in the Chemical Looping Process By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00686 Full Article
asap [ASAP] Improving the LIBS Quantitative Analysis of Unburned Carbon in Fly Ash Based on the Optimization of Reference Value By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00298 Full Article
asap [ASAP] Molecular Structure Control in Mesophase Pitch via Co-Carbonization of Coal Tar Pitch and Petroleum Pitch for Production of Carbon Fibers with Both High Mechanical Properties and Thermal Conductivity By feedproxy.google.com Published On :: Tue, 05 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00196 Full Article
asap [ASAP] Co-Generation System of Bioethanol and Electricity with Microbial Fuel Cell Technology By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00749 Full Article
asap [ASAP] Delineation and Prevention of the Spontaneous Combustion Dangerous Area of Coal in a Regenerated Roof: A Case Study in the Zhoujing Coal Mine, China By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00884 Full Article
asap [ASAP] Influence of Asphaltenes on Gelation of Tetrameric Acid with Calcium Ion at the Oil/Water Interface under Flow-Model Condition By feedproxy.google.com Published On :: Wed, 06 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00829 Full Article
asap [ASAP] Study on Proppant Transport in Fractures of Supercritical Carbon Dioxide Fracturing By feedproxy.google.com Published On :: Thu, 07 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00712 Full Article
asap [ASAP] Evolution of the Lignin Chemical Structure during the Bioethanol Production Process and Its Inhibition to Enzymatic Hydrolysis By feedproxy.google.com Published On :: Thu, 07 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00293 Full Article
asap [ASAP] Chemometric Classification of Crude Oils in Complex Petroleum Systems Using t-Distributed Stochastic Neighbor Embedding Machine Learning Algorithm By feedproxy.google.com Published On :: Thu, 07 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c01333 Full Article
asap [ASAP] Evaluation of Two Potassium-Based Activation Agents for the Production of Oxygen- and Nitrogen-Doped Porous Carbons By feedproxy.google.com Published On :: Thu, 07 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00427 Full Article
asap [ASAP] Review on the Development of Sorbents for Calcium Looping By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00682 Full Article
asap [ASAP] Combined Light Extinction and Scattering Measurement for Measuring a Low-Particulate-Mass Concentration with a White Cell-Based Optical System By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c00179 Full Article
asap [ASAP] Flexible, Lead-Free Nanogenerators Using Poly(vinylidene fluoride) Nanocomposites By feedproxy.google.com Published On :: Fri, 08 May 2020 04:00:00 GMT Energy & FuelsDOI: 10.1021/acs.energyfuels.0c01143 Full Article
asap [ASAP] Variational Density Fitting with a Krylov Subspace Method By feedproxy.google.com Published On :: Mon, 20 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01212 Full Article
asap [ASAP] Transport and Spectroscopy in Conjugated Molecules: Two Properties and a Single Rationale By feedproxy.google.com Published On :: Mon, 20 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01122 Full Article
asap [ASAP] Screened Range-Separated Hybrid Functional with Polarizable Continuum Model Overcomes Challenges in Describing Triplet Excitations in the Condensed Phase Using TDDFT By feedproxy.google.com Published On :: Mon, 20 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00086 Full Article
asap [ASAP] Steering Molecular Dynamics Simulations of Membrane-Associated Proteins with Neutron Reflection Results By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00136 Full Article
asap [ASAP] Relativistic Two-Component Multireference Configuration Interaction Method with Tunable Correlation Space By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01290 Full Article
asap [ASAP] Dissecting the Dynamics during Enzyme Catalysis: A Case Study of Pin1 Peptidyl-Prolyl Isomerase By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01279 Full Article
asap [ASAP] The ONIOM/PMM Model for Effective Yet Accurate Simulation of Optical and Chiroptical Spectra in Solution: Camphorquinone in Methanol as a Case Study By feedproxy.google.com Published On :: Tue, 21 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00124 Full Article
asap [ASAP] Utilizing Essential Symmetry Breaking in Auxiliary-Field Quantum Monte Carlo: Application to the Spin Gaps of the C<sub>36</sub> Fullerene and an Iron Porphyrin Model Complex By feedproxy.google.com Published On :: Wed, 22 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00055 Full Article
asap [ASAP] Insight into the Origin of Chiral-Induced Spin Selectivity from a Symmetry Analysis of Electronic Transmission By feedproxy.google.com Published On :: Wed, 22 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01078 Full Article
asap [ASAP] <sup>13</sup>C NMR Relaxation Analysis of Protein GB3 for the Assessment of Side Chain Dynamics Predictions by Current AMBER and CHARMM Force Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00050 Full Article
asap [ASAP] Bottom-Up Nonempirical Approach To Reducing Search Space in Enzyme Design Guided by Catalytic Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00139 Full Article
asap [ASAP] Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01144 Full Article
asap [ASAP] Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T) By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00065 Full Article
asap [ASAP] Quantitative Prediction of the Structure and Viscosity of Aqueous Micellar Solutions of Ionic Surfactants: A Combined Approach Based on Coarse-Grained MARTINI Simulations Followed by Reverse-Mapped All-Atom Molecular Dynamics Simulations By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00229 Full Article
asap [ASAP] Update to Our Reader, Reviewer, and Author Communities—April 2020 By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00394 Full Article
asap [ASAP] Photoinduced Double Proton Transfer in the Glyoxal–Methanol Complex Revisited: The Role of the Excited States By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00007 Full Article
asap [ASAP] Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields By feedproxy.google.com Published On :: Thu, 23 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00126 Full Article
asap [ASAP] Kernel-Based Machine Learning for Efficient Simulations of Molecular Liquids By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01256 Full Article
asap [ASAP] Revealing Acquired Resistance Mechanisms of Kinase-Targeted Drugs Using an on-the-Fly, Function-Site Interaction Fingerprint Approach By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01134 Full Article
asap [ASAP] Range-Separated Density-Functional Theory in Combination with the Random Phase Approximation: An Accuracy Benchmark By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01294 Full Article
asap [ASAP] Exploiting a Mechanical Perturbation of a Titin Domain to Identify How Force Field Parameterization Affects Protein Refolding Pathways By feedproxy.google.com Published On :: Fri, 24 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00080 Full Article
asap [ASAP] Further Optimization and Validation of the Classical Drude Polarizable Protein Force Field By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00057 Full Article
asap [ASAP] Scalable Electron Correlation Methods. 7. Local Open-Shell Coupled-Cluster Methods Using Pair Natural Orbitals: PNO-RCCSD and PNO-UCCSD By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00192 Full Article
asap [ASAP] Tight-Binding Modeling of Uranium in an Aqueous Environment By feedproxy.google.com Published On :: Mon, 27 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00089 Full Article
asap [ASAP] Calculation of Anharmonic IR and Raman Intensities for Periodic Systems from DFT Calculations: Implementation and Validation By feedproxy.google.com Published On :: Tue, 28 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01061 Full Article
asap [ASAP] Accurate and Efficient Prediction of NMR Parameters of Condensed-Phase Systems with the Generalized Energy-Based Fragmentation Method By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01298 Full Article
asap [ASAP] Predicting Ligand-Dissociation Energies of 3d Coordination Complexes with Auxiliary-Field Quantum Monte Carlo By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.0c00070 Full Article
asap [ASAP] Nuclear Quantum Effects from the Analysis of Smoothed Trajectories: Pilot Study for Water By feedproxy.google.com Published On :: Wed, 29 Apr 2020 04:00:00 GMT Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b00703 Full Article
