Browse studies, page 667
Page 667 of 1,298, newest first. Search them all at once, ranked by relevance, in Evidence Hub.
- Mixed quantum/classical theory (MQCT) approach to the dynamics of molecule-molecule collisions in complex systems Faraday discussions, 2024
- Topologically protecting quantum resources with sawtooth lattices Optics letters, 2021
- A Many-Body Perspective of Nuclear Quantum Effects in Aqueous Clusters The journal of physical chemistry letters, 2024
- Energy additivity as a requirement for universal quantum thermodynamical frameworks Scientific reports, 2025
- Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex The journal of physical chemistry letters, 2013
- Quantum chemistry investigation on the reaction mechanism of the elemental mercury, chlorine, bromine and ozone system Journal of molecular modeling, 2015
- Atomic Partitioning of the MPn (n = 2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic Potential Integral Approach Journal of computational chemistry, 2019
- Alkali and Alkaline-Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition Chemphyschem : a European journal of chemical physics and physical chemistry, 2020
- Quantum mechanical calculation of nanomaterial-ligand interaction energies by molecular fractionation with conjugated caps method Scientific reports, 2017
- Classical and quantum approaches to probabilistic modeling of fire occurrence in anthracite grade coal Scientific reports, 2025
- Frequency-dependent signal and noise in spectroscopic x-ray imaging Medical physics, 2020
- X marks the spot: Accurate energies from intersecting extrapolations of continuum quantum Monte Carlo data The Journal of chemical physics, 2024
- Hybrid Quantum-Classical Neural Network for Calculating Ground State Energies of Molecules Entropy (Basel, Switzerland), 2020
- Monte Carlo studies of x-ray energy absorption and quantum noise in megavoltage transmission radiography Medical physics, 1995
- A Simple Method to Estimate Entropy and Free Energy of Atmospheric Gases from Their Action Entropy (Basel, Switzerland), 2019
- Fitting quantum machine learning potentials to experimental free energy data: predicting tautomer ratios in solution Chemical science, 2021
- Exploration of the Global Minimum and Conical Intersection with Bayesian Optimization Molecular informatics, 2025
- Directionality of Halogen Bonds: An Interacting Quantum Atoms (IQA) and Relative Energy Gradient (REG) Study Chemphyschem : a European journal of chemical physics and physical chemistry, 2019
- Ligand Addition Energies and the Stoichiometry of Colloidal Nanocrystals ACS nano, 2016
- Broadband Cooling Spectra of Hot Electrons and Holes in PbSe Quantum Dots ACS nano, 2017
- Classical and quantum trial wave functions in auxiliary-field quantum Monte Carlo applied to oxygen allotropes and a CuBr2 model system The Journal of chemical physics, 2023
- An energy optimization method based on mixed-integer model and variational quantum computing algorithm for faster IMPT. ArXiv, 2025
- Sampling initial positions and momenta for nuclear trajectories from quantum mechanical distributions The Journal of chemical physics, 2021
- Quantumness of classical-trajectory-based methods for vibrational spectroscopy The Journal of chemical physics, 2025
- Simple and Accurate Exchange Energy for Density Functional Theory Molecules (Basel, Switzerland), 2020
- Verification labels for rovibronic quantum-state energy uncertainties Scientific reports, 2024
- Minimizing the Reorganization Energy of Cobalt Redox Mediators Maximizes Charge Transfer Rates from Quantum Dots Angewandte Chemie (International ed. in English), 2022
- A Machine Learning Force Field for Bio-Macromolecular Modeling Based on Quantum Chemistry-Calculated Interaction Energy Datasets Bioengineering (Basel, Switzerland), 2024
- Experimental observation of Bethe strings Nature, 2018
- Derivation of class II force fields. VI. Carbohydrate compounds and anomeric effects Biopolymers, 1998
- A circuit-generated quantum subspace algorithm for the variational quantum eigensolver The Journal of chemical physics, 2024
- Quantum wake dynamics in Heisenberg antiferromagnetic chains Nature communications, 2022
- Quantum gravity at low energies Studies in history and philosophy of science, 2022
- Steering Room-Temperature Plexcitonic Strong Coupling: A Diexcitonic Perspective Nano letters, 2021
- Direct validation of the single step classical to quantum free energy perturbation The journal of physical chemistry. B, 2015
- Dynamics and quantumness of excitation energy transfer through a complex quantum network Physical review. E, Statistical, nonlinear, and soft matter physics, 2014
- Haptic quantum chemistry Journal of computational chemistry, 2009
- Local Measure of Quantum Effects in Quantum Dynamics The journal of physical chemistry. A, 2021
- Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer Chemical science, 2023
- Quantum-Coherent Light-Electron Interaction in a Scanning Electron Microscope Physical review letters, 2022
- Energetics and quantumness of Fano coherence generation Scientific reports, 2024
- Simulated quantum computation of molecular energies Science (New York, N.Y.), 2005
- Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3 The Journal of chemical physics, 2017
- Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators Physical review letters, 2023
- Arbitrarily accurate quantum alchemy The Journal of chemical physics, 2021
- Auger-spectroscopy in quantum Hall edge channels and the missing energy problem Nature communications, 2019
- Discrete energy levels of Caroli-de Gennes-Matricon states in quantum limit in FeTe0.55Se0.45 Nature communications, 2018
- Energy Decomposition Analysis of the Adhesive Interaction between an Epoxy Resin Layer and a Silica Surface Langmuir : the ACS journal of surfaces and colloids, 2021
- Prediction of enzyme inhibition (IC50) using a combination of protein-ligand docking and semiempirical quantum mechanics Journal of molecular modeling, 2025
- On the faithfulness of molecular mechanics representations of proteins towards quantum-mechanical energy surfaces Interface focus, 2020
- Energy-Degenerate Photon-Pair Generation from Individual CsPbBr3 Quantum Dots Nano letters, 2025
- BenchQC: A Benchmarking Toolkit for Quantum Computation Journal of computational chemistry, 2025
- Ground-State Energy Estimation on Current Quantum Hardware through the Variational Quantum Eigensolver: A Practical Study Journal of chemical theory and computation, 2025
- Universal Energy Fluctuations in Inelastic Scattering Processes Physical review letters, 2024
- Generalized Path Integral Energy and Heat Capacity Estimators of Quantum Oscillators and Crystals Using Harmonic Mapping Journal of chemical theory and computation, 2024
- Machine Learning-Enhanced Calculation of Quantum-Classical Binding Free Energies Journal of chemical theory and computation, 2025
- Role of the Neurons, Astrocytes and Particle-Wave Duality in Conventional Electromagnetic Field, Plasma Brain Dynamics and Quantum Brain Dynamics The Malaysian journal of medical sciences : MJMS, 2021
- Evaluation of chemical reactivity and polarity of imidazolium-based ionic liquids using quantum chemical calculations Journal of molecular modeling, 2024
- Proton solvation in protic and aprotic solvents Journal of computational chemistry, 2016
- Computational Analysis of Chemical Reactions Using a Variational Quantum Eigensolver Algorithm without Specifying Spin Multiplicity ACS omega, 2023
- Small Charging Energies and g-Factor Anisotropy in PbTe Quantum Dots Nano letters, 2022
- Probing Non-Covalent Interactions through Molecular Balances: A REG-IQA Study Molecules (Basel, Switzerland), 2024
- Dark Energy from Quantum Gravity Discreteness Physical review letters, 2019
- Multicomponent Unitary Coupled Cluster and Equation-of-Motion for Quantum Computation Journal of chemical theory and computation, 2021
- Quantum-Chemical Quasi-Docking for Molecular Dynamics Calculations Nanomaterials (Basel, Switzerland), 2022
- Enhancing the energy spectrum of graphene quantum dot with external magnetic and Aharonov-Bohm flux fields Heliyon, 2019
- Hyperpolarizabilities of hydrogenlike atoms in Debye and dense quantum plasmas Physical review. E, 2023
- Static Self-Energy and Effective Mass of the Homogeneous Electron Gas from Quantum Monte Carlo Calculations Physical review letters, 2023
- Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles Nanomaterials (Basel, Switzerland), 2020
- Evaluation of Protein-Ligand binding interactions of alkaline phosphatase inhibitors by Quantum-Mechanical methods Journal of computer-aided molecular design, 2025
- Spectroscopy of NbSe2 Using Energy-Tunable Defect-Embedded Quantum Dots Nano letters, 2021
- Population and Energy Transfer Dynamics in an Open Excitonic Quantum Battery Molecules (Basel, Switzerland), 2024
- Excitonic Floquet states in quantum wire Journal of physics. Condensed matter : an Institute of Physics journal, 2023
- Transverse recoil imprinted on free-electron radiation Nature communications, 2024
- Phantom energy in the nonlinear response of a quantum many-body scar state Science (New York, N.Y.), 2024
- Quantum computation of dominant products in lithium-sulfur batteries The Journal of chemical physics, 2021
- What Next for Quantum Mechanics in Structure-Based Drug Discovery? Methods in molecular biology (Clifton, N.J.), 2020
- Description of quantum interference using mixed quantum/classical theory of inelastic scattering Physical chemistry chemical physics : PCCP, 2023
- Quantum energies of interfaces Physical review letters, 2001
- A Quantum-Classical Analysis of Variability in Peptide Energies and Conformations The protein journal, 2026
- Observation of quantum dynamical resonances in near cold inelastic collisions of astrophysical molecules Chemical science, 2016
- A Comparison of Quantum and Molecular Mechanical Methods to Estimate Strain Energy in Druglike Fragments Journal of chemical information and modeling, 2017
- Neural Network Potential Energy Surfaces for Small Molecules and Reactions Chemical reviews, 2021
- Band Offsets at κ-([Al,In]xGa1-x)2O3/MgO Interfaces ACS applied materials & interfaces, 2020
- Quantum effects in the interaction of low-energy electrons with light Science advances, 2024
- Analysis of DNA interactions and GC content with energy decomposition in large-scale quantum mechanical calculations Physical chemistry chemical physics : PCCP, 2021
- Interacting Quantum Atoms and Multipolar Electrostatic Study of XH···π Interactions ACS omega, 2023
- Quantum state-resolved molecular dipolar collisions over four decades of energy Science (New York, N.Y.), 2023
- Catalytic coherence Physical review letters, 2014
- Quantum-Centric Alchemical Free Energy Calculations Journal of chemical theory and computation, 2026
- Quantum chemical simulation of excited states of chlorophylls, bacteriochlorophylls and their complexes Physical chemistry chemical physics : PCCP, 2006
- Quantum fundaments of catalysis: true electronic potential energy Physical chemistry chemical physics : PCCP, 2024
- Quantum harmonic free energies for biomolecules and nanomaterials Nature computational science, 2023
- Quantumness speeds up quantum thermodynamics processes iScience, 2024
- Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model Angewandte Chemie (International ed. in English), 2017
- Brane-World Gravity Living reviews in relativity, 2004
- Polypharmacy and Inappropriate Medication Use Directory of Open access Books (OAPEN Foundation), 2026
- Prespecified High-Risk Medication Combinations and Gastroprotection Gaps Among Hospitalized Adults with Type 2 Diabetes and Polypharmacy: A Cross-Sectional MedicationSafety Study at a Tertiary Hospital in Nasiriyah, Iraq International Journal of Drug Delivery Technology, 2026
- Bowel function in children with low-type anorectal malformation after surgical repair Ghent University Academic Bibliography (Ghent University), 2021
- Mysterious diagnosis in a child with failure to thrive Ghent University Academic Bibliography (Ghent University), 2021
