Molecular van der Waals fluids in cavity quantum electrodynamics
John P. Philbin, Tor S. Haugland, Tushar K. Ghosh et al.
Chemical Physics papers — page 217
physics.chem-phBrowse archive
The electronic system (2)2Σ+ and (1)2Π of LiCa
J. Gerschmann, E. Schwanke, S. Ospelkaus et al.Learning Pair Potentials using Differentiable Simulations
Wujie Wang, Zhenghao Wu, Rafael Gómez-BombarelliFrom quantum alchemy to Hammett's equation: Covalent bonding from atomic energy partitioning
Michael J. Sahre, Guido Falk von Rudorff, O. Anatole von LilienfeldEnhanced Excitation Energy Transfer under Strong Light-Matter Coupling: Insights from Multi-Scale Molecular Dynamics Simulations
Ilia Sokolovskii, Ruth H. Tichauer, Dmitry Morozov et al.The 3d Transition Metal Single Atom Catalysis for Prominent Adsorption Performance Towards Cr(VI) : A First Principle Study
Jianglu Ping, Haojun JiaThe Pnictogen Bond Formation Ability of Bonded Bismuth Atoms in Molecular Entities in the Crystalline Phase: A Perspective
Pradeep R. Varadwaj, Arpita Varadwaj, Helder M. Marques et al.Coulombic efficiency and capacity retention are not universal descriptors of cell aging
Marco-Tulio Fonseca RodriguesDirect observation of the Yb(4f13 6s2)F states and accurate determination of the YbF ionization energy
Thomas D. Persinger, Jiande Han, Anh T. Le et al.Optimization of the Femtosecond Laser Impulse for Excitation and the Spin-Orbit Mediated Dissociation in the NaRb Dimer
Janek Kozicki, Patryk Jasik, Tymon Kilich et al.Theory of nuclear motion in RABBITT spectra
Serguei Patchkovskii, Jakub Benda, Dominik Ertel et al.Short range order and topology of binary Ge-S glasses
Ildikó Pethes, Pál Jóvári, Stefan Michalik et al.Gaussian-Based Quasiparticle Self-Consistent GW for Periodic Systems
Jincheng Lei, Tianyu ZhuSparse deep neural networks for modeling aluminum electrolysis dynamics
Erlend Torje Berg Lundby, Adil Rasheed, Ivar Johan Halvorsen et al.A Volume-based Description of Transport in Incompressible Liquid Electrolytes and its Application to Ionic Liquids
Franziska Kilchert, Martin Lorenz, Max Schammer et al.Tailoring the Acidity of Liquid Media with Ionizing Radiation -- Rethinking the Acid-Base Correlation Beyond pH
Birk Fritsch, Andreas Körner, Thaïs Couasnon et al.Triangle Counting Rule: An Approach to Forecast the Magnetic Properties of Benzenoid Polycyclic Hydrocarbons
Yuyi Yan, Fengru Zheng, Boyu Qie et al.Ligand additivity relationships enable efficient exploration of transition metal chemical space
Naveen Arunachalam, Stefan Gugler, Michael G. Taylor et al.Electron Attachment to DNA: The Protective Role of Amino Acids
Pooja Verma, Achintya Kumar DuttaEfficient Calculation of NMR Shielding Constants Using Composite Method Approximations and Locally Dense Basis Sets
Jiashu Liang, Zhe Wang, Jie Li et al.Local Hydration Control and Functional Implications Through S-Nitrosylation of Proteins: Kirsten rat sarcoma virus (KRAS) and Hemoglobin (Hb)
Haydar Taylan Turan, Markus MeuwlyOvercoming Artificial Multipoles in Intramolecular Symmetry-Adapted Perturbation Theory
Du Luu, Konrad PatkowskiVisible Light-Driven C-C Coupling Reaction of Terminal Alkynes at Atmospheric Temperature and Pressure Reaction Conditions using Hybrid Cu2O-Pd Nanostructures
Samantha Stobbe, Ravi Teja A. Tirumala, Sundaram Bhardwaj Ramakrishnan et al.The V30 Benchmark Set for Anharmonic Vibrational Frequencies of Molecular Dimers
Johannes Hoja, A. Daniel BoeseNon-Adiabatic Electronic and Vibrational Ring-Opening Dynamics resolved with Attosecond Core-Level Spectroscopy
S. Severino, K. M. Ziems, M. Reduzzi et al.