Open AccessA Carbon Is a Carbon Is a Carbon: Orbital-Free Simulations of Hydrocarbon Chemistry without Resort to Atom Types
Author(s) -
Jicun Li,
Xinrui Song,
Pinyuan Li,
Judith Herzfeld
Publication year - 2022
Publication title -
the journal of physical chemistry a
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.756
H-Index - 235
eISSN - 1520-5215
pISSN - 1089-5639
DOI - 10.1021/acs.jpca.2c05338
Subject(s) - chemistry , semiclassical physics , polarizability , carbocation , electron , atomic orbital , chemical physics , computational chemistry , physics , quantum mechanics , molecule , photochemistry , organic chemistry , quantum
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom