Direct detonation initiation and propagation in methane/air mixtures containing coal particles
Shengnan Li, Shangpeng Li, Shumeng Xie et al.
Chemical Physics papers — page 98
physics.chem-phBrowse archive
Turning on the Light: Polymorphism-Induced Photoluminescence in Cysteine Crystals
Debarshi Banerjee, Sonika Chibh, Om Shanker Tiwari et al.Taming the Virtual Space for Incremental Full Configuration Interaction
Jeffrey Hatch, Paul M. ZimmermanTriplet J-driven DNP, a proposal to increase the sensitivity of solution-state NMR without microwave
Maria Grazia Concilio, Yiwen Wang, Linjun Wang et al.Machine learning meets su(n) Lie algebra: Enhancing quantum dynamics learning with exact trace conservation
Arif Ullah, Jeremy O. RichardsonRoadmap for Molecular Benchmarks in Nonadiabatic Dynamics
Léon E. Cigrang, Basile F. E. Curchod, Rebecca A. Ingle et al.Strong coupling quantum electrodynamics Hartree-Fock response theory
Matteo Castagnola, Rosario R. Riso, Yassir El Moutaoukal et al.Imaging the Photochemistry of Cyclobutanone using Ultrafast Electron Diffraction: Experimental Results
A. E. Green, Y. Liu, F. Allum et al.Real-time interpretation of neutron vibrational spectra with symmetry-equivariant Hessian matrix prediction
Bowen Han, Pei Zhang, Kshitij Mehta et al.Rotational quenching of monofluorides in a cryogenic helium bath
Mateo Londoño, Jesús Pérez-RíosTransferable Machine Learning Potential X-MACE for Excited States using Integrated DeepSets
Rhyan Barrett, Christoph Ortner, Julia WestermayrMechanism of Heteroepitaxial Growth of Boron Carbide on the Si-Face of 4H-SiC
Yamina Benamra, Laurent Auvray, Jérôme Andrieux et al.The Q-AMOEBA (CF) Polarizable Potential
Nastasia Mauger, Thomas Plé, Louis Lagardère et al.Decoherence and vibrational energy relaxation of the electronically excited PtPOP complex in solution
Benedikt O Birgisson, Asmus Ougaard Dohn, Hannes Jónsson et al.Towards Environment-Sensitive Molecular Inference via Mixed Integer Linear Programming
Jianshen Zhu, Mao Takekida, Naveed Ahmed Azam et al.Metal Ions based Dynamic Nuclear Polarization: MI-DNP
Daniel Jardon- Alvarez, Michal LeskesMany-body theory calculations of positron binding to parabenzoquinone
S. K. Gregg, J. Hofierka, B. Cunningham et al.Exchange-Correlation Potentials and Energy Densities through Orbital Averaging and Aufbau Integration
Vaibhav Khanna, Bikash Kanungo, Jeffrey Hatch et al.Pump-intensity-scaling of Two-Photon-Absorption and Photon Statistics of Entangled-Photon Fields
Deependra Jadoun, Upendra Harbola, Vladimir Y. Chernyak et al.Shadow Molecular Dynamics for a Charge-Potential Equilibration Model
Robert Stanton, Cagri Mehmet Kaymak, Anders M. N. NiklassonConvex envelope method for T, p flash calculations for mixtures with an arbitrary number of components and arbitrary aggregate states
Quirin Göttl, Natalie Rosen, Jakob BurgerLeveraging the Bias-Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet-Triplet Gap Predictions: A Case for Double-Hybrid DFT
Atreyee Majumdar, Raghunathan RamakrishnanA Guide to Molecular Properties from the Bethe-Salpeter Equation
Christof Holzer, Yannick J. FranzkeCO2 Hydration at the Air-Water Interface: A Surface-Mediated 'In and Out' Mechanism
Samuel G. H. Brookes, Venkat Kapil, Angelos Michaelides et al.Electronic decoherence along a single nuclear trajectory
Matisse Wei-Yuan Tu, E. K. U. Gross