Results 221 to 230 of about 13,144,199 (261)

VeloxChem: Large-Scale DFT Calculations of Geometric Derivatives up to Second Order for Simulation of IR Spectra. [PDF]

J Phys Chem A
Andersen JH, Brumboiu IE, Hodecker M, Li X, Norman P, Rinkevicius Z.   +5 more
europepmc   +1 more source

Curvature‐Induced Kinetic Trapping in Chemical Reactions

Journal of Computational Chemistry, Volume 47, Issue 30, November 15, 2026.
Reaction path curvature helps to detect obstacles to reaction progress in the absence of activation energy barriers. ABSTRACT Crossing an activation energy barrier in a chemical reaction needs time because enough kinetic energy needs to redistribute into the barrier‐crossing mode.
Bernd Hartke
wiley   +1 more source

Nonlinear Projection for Ballistic Correlation Functions: a Formula in Terms of Minimal Connected Covers. [PDF]

J Stat Phys
Doyon B.
europepmc   +1 more source

Continuous investment strategy in preservation technology for inventory management of perishable goods considering exponential demand growth, time-dependent deterioration, and partial backlogging dynamics. [PDF]

Sci Rep
Nand A, Gupta GK, Kumar A, Bankoti N, Sharma S.   +4 more
europepmc   +1 more source

Impact of measurement noise on escaping saddles in variational quantum algorithms. [PDF]

Sci Rep
Kaminishi E, Mori T, Sugawara M, Yamamoto N.   +3 more
europepmc   +1 more source

Value-Regularized Reinforcement Learning for Model Predictive Control of Autonomous Mobile Robots Under Stochastic Disturbances. [PDF]

Sensors (Basel)
Yu C, Zhang W, Li Q, Cheng Y, Li Z.
europepmc   +1 more source

VINA-SLAM: A Voxel-Based Inertial and Normal-Aligned LiDAR-IMU SLAM. [PDF]

Sensors (Basel)
Zhang R, Sun B.
europepmc   +1 more source

Shape modes of C P 1 vortices. [PDF]

Lett Math Phys
Gavrea N, Harland D, Speight M.
europepmc   +1 more source