
The Journal of Chemical Physics | AIP Publishing
The Journal of Chemical Physics is an international journal that publishes cutting edge research in all areas of modern physical chemistry and chemical physics.
JCP - About | The Journal of Chemical Physics | AIP Publishing
The Journal of Chemical Physics (JCP) is an international journal that publishes cutting edge research in all areas of modern chemical physics and physical chemistry.
The Journal of Chemical Physics - AIP Publishing
High-harmonic generation under electronic strong coupling: A time-dependent combined quantum electrodynamics/quantum chemistry study Paul A. Albrecht; Eric W. Fischer; Tillmann …
All Issues | The Journal of Chemical Physics - AIP Publishing
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A consistent and accurate ab initio parametrization of density ...
Apr 16, 2010 · They are used to interpolate between dispersion coefficients of atoms in different chemical environments. The method only requires adjustment of two global parameters for …
Density‐functional thermochemistry. III. The role of exact exchange ...
Apr 1, 1993 · Axel D. Becke; Density‐functional thermochemistry. III. The role of exact exchange. J. Chem. Phys. 1 April 1993; 98 (7): 5648–5652. https://doi.org/10.1063/1.464913
Volume 161 Issue 12 | The Journal of Chemical Physics | AIP …
Sep 28, 2024 · Measurement and assignment of J = 5 to 9 rotational energy levels in the 9070–9370 cm −1 range of methane using optical frequency comb double-resonance …
A climbing image nudged elastic band method for finding saddle …
Dec 8, 2000 · G. Henkelman, G. Jóhannesson, and H. Jónsson, “Methods for finding saddle points and minimum energy paths,” in Progress on Theoretical Chemistry and Physics, edited …
A comprehensive electron wavefunction analysis toolbox for …
Aug 27, 2024 · Analysis of electron wavefunction is a key component of quantum chemistry investigations and is indispensable for the practical research of many chemical problems.
A simple measure of electron localization in atomic and molecular ...
May 1, 1990 · A. D. Becke, K. E. Edgecombe; A simple measure of electron localization in atomic and molecular systems. J. Chem. Phys. 1 May 1990; 92 (9): 5397–5403. …