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
578 2016 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
69 2016 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
60 2018 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
59 2009 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
58 2008 Infrared vibronic absorption spectrum and spin–orbit calculations of the upper spin–orbit component of the R Guo, K Balasubramanian, X Wang, L Andrews
The Journal of chemical physics 117 (4), 1614-1620, 2002
54 2002 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
50 2017 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
48 2007 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
43 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
37 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
35 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
31 2009 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
26 2018 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
26 2008 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
23 2019 A global potential energy surface of ab initio calculations JY Qu, W Li, R Guo, XS Zhao
The Journal of chemical physics 117 (6), 2592-2598, 2002
23 2002 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
22 2020 Toward physics-based solubility computation for pharmaceuticals to rival informatics DJ Fowles, DS Palmer, R Guo, SL Price, JBO Mitchell
Journal of Chemical Theory and Computation 17 (6), 3700-3709, 2021
21 2021 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
20 2014 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
17 2004 
Vijay SrirambhatlaUniversity of StrathclydeПотвърден имейл адрес: strath.ac.uk
