Journal

Molecular Physics

OpenAlex S204809294

Published here

33 counted works of 33 linked

YearTitleAcademicsSources
2024 Atomistic Descriptor Optimization Using Complementary Euclidean and Geodesic Distance Information Brenda Rubenstein CV OA GS
2023 General theory of light propagation and triplet generation for studies of spin dynamics and triplet dynamic nuclear polarisation Yifan Quan GS
2021 High-resolution anion photoelectron spectroscopy of cryogenically cooled 4-atom silicon carbides Marissa Weichman CV OA
2021 Molecular magnetisabilities computed via finite fields: assessing alternatives to MP2 and revisiting magnetic exaltations in aromatic and antiaromatic species Joonho Lee GS
2020 Active space approaches combining coupled-cluster and perturbation theory for ground states and excited states Timothy C Berkelbach GS
2019 Evaluation of dynamical properties of open quantum systems using the driven Liouvillevon Neumann approach: methodological considerations Abraham Nitzan CV OA GS
2019 Isotope Effects in Liquid Water via Deep Potential Molecular Dynamics Robert A. DiStasio Jr. CV OA GS
2015 Advances in molecular quantum chemistry contained in the Q-Chem 4 program package. Robert A. DiStasio Jr.; Joseph Subotnik CV OA GS
2015 A Systematic Study of Chloride Ion Solvation in Water Using van der Waals Inclusive Hybrid Density Functional Theory Robert A. DiStasio Jr. CV GS
2015 Local Structure Analysis in Ab Initio Liquid Water Robert A. DiStasio Jr. CV OA GS
2015 Low-lying states of FeO and FeO−by slow photoelectron spectroscopy Marissa Weichman CV OA
2012 Flux-correlation approach to characterizing reaction pathways in quantum systems: a study of condensed-phase proton-coupled electron transfer Nandini Ananth GS
2010 Vibrational Predissociation Spectra of the Ar-Tagged [CH4 · H3O+] binary complex: Spectroscopic Signature of hydrogen bonding to an alkane Mark Johnson CV OA
2008 A continuum integral equation approach for fluid mixtures of flexible hard-sphere chain molecules Jane E. G. Lipson GS
2008 Inelastic effects in molecular junction transport: Scattering and self- consistent calculations for the Seebeck coefficient Abraham Nitzan CV GS
2007 Optimized Spin-Component Scaled Second-Order Møller-Plesset Perturbation Theory for Intermolecular Interaction Energies Robert A. DiStasio Jr. CV OA GS
2007 Square-well mixtures: a study of their coexistence using theory and simulation Jane E. G. Lipson GS
2007 The Analytical Gradient of Dual-Basis Resolution-of-the-Identity Second-Order Møller-Plesset Perturbation Theory Robert A. DiStasio Jr. CV OA GS
2005 Realizability Issues for Iso-g(2) Processes Salvatore Torquato CV OA
1998 Free Volume in the Hard-Sphere Liquid Salvatore Torquato CV OA GS
1995 Vibronic structure of the CO2 + ion: Reinvestigation of the antisynmmetric vibration in the X, A, and B states Mark Johnson CV OA
1988 Monte Carlo Simulations of Liquid Acetonitrile with a Three-Site Model. William Jorgensen CV OA GS
1985 Temperature and Size Dependence for Monte Carlo Simulations of TIP4P Water. William Jorgensen CV OA GS
1984 An Improved Intermolecular Potential Function for Simulations of Liquid Hydrogen Fluoride. William Jorgensen CV OA GS
1981 Constrained impulsive molecular dynamics. Richard Stratt CV OA
1981 On the symmetry properties of non-rigid molecules: Semifactorizability of the isometric group Gregory Sion Ezra GS
1979 On the symmetry properties of non-rigid molecules: A unified approach Gregory Sion Ezra GS
1974 On the coupling between vibrational relaxation and molecular electronic transitions Abraham Nitzan CV OA
1974 Photon absorption and scattering in Fano antiresonances Abraham Nitzan CV OA GS
1973 Interference effects in sequential decay Abraham Nitzan CV OA GS
1973 Vibrational relaxation of a molecule in a dense medium Abraham Nitzan CV OA GS
1972 Line shape of molecular resonances Abraham Nitzan CV OA GS
1971 Internal conversion in large molecules Abraham Nitzan CV OA GS