The Journal of Physical Chemistry A

Title Publication Date Language Citations
Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach2024/04/15English
High-Resolution Photoelectron Spectroscopy of the Ground and First Excited Electronic States of MgXe+2024/04/15English
Ultrafast Excited-State Nonadiabatic Dynamics in Pt(II) Donor–Bridge–Acceptor Assemblies: A Quantum Approach for Optical Control2024/04/15English
Photophysical Studies of Helicate and Mesocate Double-Stranded Dinuclear Ru(II) Complexes2024/04/19English
Spectroscopic Characterization of Highly Excited Neutral Chromium Tricarbonyl2024/04/18English
Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data2024/04/20English
Significant Isotope Effects from the Nonadiabatic Couplings in the Cl(2P) + HD(v = 0, j = 0) Reaction2024/04/22English
Diabatic Valence-Hole Concept2024/04/22English
Gas-Phase Structures of [Au21(SR)14]− and [Au17(SR)10]− with Eight Electrons: Can They Support an Icosahedral Au13 Core?2024/04/16English
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H3O2–2024/04/16English
Origin of the Conformational Stability of Dirhodium(II) Tetrakis[N-phthaloyl-(S)-tert-leucinate] and Its Halogenated Derivatives2024/04/16English
Ab Initio Study on Electronic Excited States of Monochlorosilylene2024/04/16English
Vibration to Vibration: Product Energy Distribution of F + HD Crossed Molecular Beam Experiments2024/04/16English
Autobiographical Sketch of Harold Johnston2001/03/01English
A Brief Scientific Biography2000/04/01English
Kinetic and Modeling Studies of the Reaction of Hydroxyl Radicals with Tetrachloroethylene.2000/12/01English
Colleagues of Saburo Nagakura1997/01/01English
Scientific Publications of Saburo Nagakura1997/01/01English
Electrolyte Diffusion into Water2000/10/06English
Theoretical Studies on the Gas-Phase Nucleophilic Ring Opening of 3,4-Epimino-, 3,4-Epoxy-, and 3,4-Epithio-1-butene1997/09/01English
Collisional Quenching of Hg2 (A )1998/06/01English
Master Equation Approach to Fluctuations in a Model Excitable Spatially Extended Chemical System1998/06/18English
Room-Temperature Fluorescence Imaging and Spectroscopy of Single Molecules by Two-Photon Excitation.1998/05/29English
Implementation of the Time-Dependent Complete-Active-Space Self-Consistent-Field Method for Diatomic Molecules2024/02/19English
Elucidating the Role of Electron-Donating Groups in Halogen Bonding2024/02/19English
Correction to “Rate Constants for the Reactions of OH Radicals with the (E)/(Z) Isomers of CFCl=CFCl and (E)-CHF=CHF“2024/02/18English
Tribute to William Andrew Goddard III2000/02/05English
A Study of Silver (I) Ion−Organonitrile Complexes:  Ion Structures, Binding Energies, and Substituent Effects %Pages 716 and 718. The captions to Figures 5, 6, and 9 do not match the artwork. These three figures should appear as2001/02/03English
Ion Yields for Tetramethylgermane Exposed to X-Rays near the Ge K-Edge2000/02/24English
Self-Assessment of Scientific Contributions of Aron Kuppermann2001/03/01English