[图书][B] Theoretical methods in condensed phase chemistry

SD Schwartz - 2002 - books.google.com
… of theoretical studies of condensed phase chemistry. A brief perusal of physical chemistry
ical papers devoted to 3-body gas phase chemical reaction dynamics. The recent history of …

Modern theories of chemical reactions in condensed phases

MV Bazilevskii, VI Faustov - Russian Chemical Reviews, 1992 - iopscience.iop.org
… of liquid-phase and solid-phase reactions. This … theory and in its applications at the present
time. Several reviews dealing with reactions in the condensed phase from current theoretical

[图书][B] Chemical dynamics in condensed phases: relaxation, transfer, and reactions in condensed molecular systems

A Nitzan - 2024 - books.google.com
… In the past half century we have seen an explosive growth in the study of chemical reaction
dynamics, spurred by advances in both experimental and theoretical techniques. Chemical

Predictive thermodynamics for condensed phases

L Glasser, HDB Jenkins - Chemical Society Reviews, 2005 - pubs.rsc.org
methods of thermodynamic prediction for condensed phases, with emphasis on volume-based
methods, rather than consideration of the more theoretical … thermodynamic methods have …

CondensedPhase Quantum Chemistry

PJ Robinson, A Rettig, HQ Dinh… - Wiley Interdisciplinary …, 2025 - Wiley Online Library
… hybrid density functional theory and wavefunction methods, and simulating … techniques
presented here are inspired by the extensive method developments rooted in quantum chemistry

[图书][B] Accurate condensed-phase quantum chemistry

F Manby - 2010 - books.google.com
… apply the successful methods of molecular electronic structure theory to condensed-phase
systems, … The wavefunction-based methods described in this book all begin with a mean-field …

Aspects of modern condensed-phase chemistry

GW Robinson, S Singh, R Krishnan… - … of Physical Chemistry, 1990 - ACS Publications
… -phase chemistry for the past 30-40 years, and this goal has largely been attained for those
studies. Is condensed-phase chemistry … achieved in gas-phase chemistry? Besides the help …

Structures and spectroscopic properties of large molecules and condensed-phase systems predicted by generalized energy-based fragmentation approach

W Li, H Dong, J Ma, S Li - Accounts of Chemical Research, 2020 - ACS Publications
… To model ILs, a simple strategy is to study different sizes of IL clusters with various theoretical
methods. Recently, the GEBF approach has been applied to investigate general IL clusters…

Condensed phase isotope effects

G Jancso, WA Van Hook - Chemical Reviews, 1974 - ACS Publications
… on condensed phase molar volumes, on heats of solution, on solubilities, on surface tension,
etc.The field of condensed phase … In the present chapter the theory of the VPIE will be …

Progress toward chemical accuracy in the computer simulation of condensed phase reactions.

PA Bash, LL Ho, AD MacKerell… - Proceedings of the …, 1996 - National Acad Sciences
… technology to carry out accurate simulations of condensedphase chemical phenomena.
Theoretical methods that represent the noncovalent attributes of chemical systems have become …