화학공학소재연구정보센터
검색결과 : 15건
No. Article
1 Are "Bright-State" Models Appropriate for Analyzing Fermi-Coupled Bands in Molecular Vibrational Spectra?
Curnow OJ, Crittenden DL
Journal of Physical Chemistry A, 125(6), 1355, 2021
2 Temperature-Dependent Blue Shifting of O-H Stretching Frequencies in Crystalline Cellulose Explained
Moreno MF, Stinson CJ, Shepherd RG, Welsh ID, Altaner C, Crittenden DL
Journal of Physical Chemistry B, 124(24), 4924, 2020
3 Multifunctional and Stable Monolayers on Carbon: A Simple and Reliable Method for Backfilling Sparse Layers Grafted from Protected Aryldiazonium Ions
Lee L, Gunby NR, Crittenden DL, Downard AJ
Langmuir, 32(11), 2626, 2016
4 Quadratic Corrections to Harmonic Vibrational Frequencies Outperform Linear Models
Sibaev M, Crittenden DL
Journal of Physical Chemistry A, 119(52), 13107, 2015
5 Cyclopropenium Cations Break the Rules of Attraction to Form Closely Bound Dimers
Wallace AJ, Jayasinghe CD, Polson MIJ, Curnow OJ, Crittenden DL
Journal of the American Chemical Society, 137(49), 15528, 2015
6 Optimal Composition of Atomic Orbital Basis Sets for Recovering Static Correlation Energies
Wallace AJ, Crittenden DL
Journal of Physical Chemistry A, 118(11), 2138, 2014
7 A Hierarchy of Static Correlation Models
Crittenden DL
Journal of Physical Chemistry A, 117(18), 3852, 2013
8 Distribution of r center dot p in Atomic Systems p
Bernard YA, Crittenden DL, Gill PMW
Journal of Physical Chemistry A, 114(44), 11984, 2010
9 A Systematic CCSD(T) Study of Long-Range and Noncovalent Interactions between Benzene and a Series of First- and Second-Row Hydrides and Rare Gas Atoms
Crittenden DL
Journal of Physical Chemistry A, 113(8), 1663, 2009
10 On the extent of intramolecular hydrogen bonding in gas-phase and hydrated 1,2-ethanediol
Crittenden DL, Thompson KC, Jordan MJT
Journal of Physical Chemistry A, 109(12), 2971, 2005