Rui Guo
Rui Guo
Department of Chemistry, University College London
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Report on the sixth blind test of organic crystal structure prediction methods
AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
Biological and biomedical applications of two-dimensional vibrational spectroscopy: proteomics, imaging, and structural analysis
F Fournier, R Guo, EM Gardner, PM Donaldson, C Loeffeld, IR Gould, ...
Accounts of chemical research 42 (9), 1322-1331, 2009
Isomorphous template induced crystallisation: a robust method for the targeted crystallisation of computationally predicted metastable polymorphs
VK Srirambhatla, R Guo, SL Price, AJ Florence
Chemical Communications 52 (46), 7384-7386, 2016
Protein identification and quantification by two-dimensional infrared spectroscopy: Implications for an all-optical proteomic platform
F Fournier, EM Gardner, DA Kedra, PM Donaldson, R Guo, SA Butcher, ...
Proceedings of the National Academy of Sciences 105 (40), 15352-15357, 2008
Successful computationally directed templating of metastable pharmaceutical polymorphs
DH Case, VK Srirambhatla, R Guo, RE Watson, LS Price, H Polyzois, ...
Crystal Growth & Design 18 (9), 5322-5331, 2018
Infrared vibronic absorption spectrum and spin–orbit calculations of the upper spin–orbit component of the ground state
R Guo, K Balasubramanian, X Wang, L Andrews
The Journal of chemical physics 117 (4), 1614-1620, 2002
Direct identification and decongestion of Fermi resonances by control of pulse time ordering in two-dimensional IR spectroscopy
PM Donaldson, R Guo, F Fournier, EM Gardner, L Barter, CJ Barnett, ...
The Journal of chemical physics 127 (11), 2007
Direct observation of templated two-step nucleation mechanism during olanzapine hydrate formation
M Warzecha, R Guo, R M. Bhardwaj, SM Reutzel-Edens, SL Price, ...
Crystal Growth & Design 17 (12), 6382-6393, 2017
Optical fingerprinting of peptides using two-dimensional infrared spectroscopy: Proof of principle
F Fournier, EM Gardner, R Guo, PM Donaldson, LMC Barter, DJ Palmer, ...
Analytical biochemistry 374 (2), 358-365, 2008
Unraveling complexity in the solid form screening of a pharmaceutical salt: Why so many forms? Why so few?
DE Braun, SR Lingireddy, MD Beidelschies, R Guo, P Muller, SL Price, ...
Crystal Growth & Design 17 (10), 5349-5365, 2017
Are oxygen and sulfur atoms structurally equivalent in organic crystals?
MK Corpinot, R Guo, DA Tocher, ABM Buanz, S Gaisford, SL Price, ...
Crystal Growth & Design 17 (2), 827-833, 2017
Detection of complex formation and determination of intermolecular geometry through electrical anharmonic coupling of molecular vibrations using electron-vibration–vibration …
R Guo, F Fournier, PM Donaldson, EM Gardner, IR Gould, DR Klug
Physical Chemistry Chemical Physics 11 (38), 8417-8421, 2009
Decongestion of methylene spectra in biological and non-biological systems using picosecond 2DIR spectroscopy measuring electron-vibration–vibration coupling
PM Donaldson, R Guo, F Fournier, EM Gardner, IR Gould, DR Klug
Chemical Physics 350 (1-3), 201-211, 2008
Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction
P Lucaioli, E Nauha, I Gimondi, LS Price, R Guo, L Iuzzolino, I Singh, ...
CrystEngComm 20 (28), 3971-3977, 2018
A global potential energy surface of based on ab initio calculations
JY Qu, W Li, R Guo, XS Zhao
The Journal of chemical physics 117 (6), 2592-2598, 2002
Identification and relative quantification of tyrosine nitration in a model peptide using two-dimensional infrared spectroscopy
L Rezende Valim, JA Davies, K Tveen Jensen, R Guo, KR Willison, ...
The Journal of Physical Chemistry B 118 (45), 12855-12864, 2014
Reversible, two-step single-crystal to single-crystal phase transitions between desloratadine forms I, II, and III
VK Srirambhatla, R Guo, DM Dawson, SL Price, AJ Florence
Crystal Growth & Design 20 (3), 1800-1810, 2020
The (current) acridine solid form landscape: eight polymorphs and a hydrate
E Schur, J Bernstein, LS Price, R Guo, SL Price, SH Lapidus, ...
Crystal Growth & Design 19 (8), 4884-4893, 2019
Theoretical study of the low-lying electronic states of ruthenium trimer
R Guo, K Balasubramanian
The Journal of chemical physics 118 (1), 142-148, 2003
Spectroscopic properties and potential energy curves of low-lying electronic states of RuC
R Guo, K Balasubramanian
The Journal of chemical physics 120 (16), 7418-7425, 2004
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