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Number of items: 50.

acrylic acid

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP02968K)

ammonia synthesis

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2019) Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces. Physical Chemistry Chemical Physics, 21 (35). pp. 19365-19377. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP03934A)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2018) On the possibility of an Eley-Rideal mechanism for ammonia synthesis on Mn6N5+x (x=1)-(111) surfaces. Physical Chemistry Chemical Physics, 20 (27). pp. 18729-18736. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C8CP02381F)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C7CP00806F)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2018) The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides. Physical Chemistry Chemical Physics, 20 (34). pp. 21803-21808. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C8CP04216K)

co-adsorbed oxygen

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Willock, David J., Machado, Andreia, Wilson, Karen and Lee, Adam F. (2013) Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study. Physical Chemistry Chemical Physics, 2014 (23):16. pp. 11202-11210. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp53691b)

Co3Mo3N

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2018) The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides. Physical Chemistry Chemical Physics, 20 (34). pp. 21803-21808. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C8CP04216K)

Compensation analysis Differential scanning calorimetry

Owusu-Ware, Samuel K., Chowdhry, Babur, Leharne, Stephen A. and Antonijevic, Milan D. ORCID: 0000-0002-5847-7886 (2013) Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA. Physical Chemistry Chemical Physics, 15 (46). pp. 20046-20053. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C3CP52670D)

conformations

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP02968K)

crotonaldehyde adsorption

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Willock, David J., Machado, Andreia, Wilson, Karen and Lee, Adam F. (2013) Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study. Physical Chemistry Chemical Physics, 2014 (23):16. pp. 11202-11210. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp53691b)

DFT

Kausar, Nighat, Dines, Trevor J., Chowdhry, Babur Z. and Alexander, Bruce D. (2009) Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state. Physical Chemistry Chemical Physics, 11 (30). pp. 6389-6400. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b903131f)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2019) Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces. Physical Chemistry Chemical Physics, 21 (35). pp. 19365-19377. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP03934A)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP02968K)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C7CP00806F)

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Willock, David J., Machado, Andreia, Wilson, Karen and Lee, Adam F. (2013) Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study. Physical Chemistry Chemical Physics, 2014 (23):16. pp. 11202-11210. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp53691b)

dimerization

Jabeen, Saima, Dines, Trevor J., Withnall, Robert, Leharne, Stephen A. and Chowdhry, Babur Z. (2009) Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization. Physical Chemistry Chemical Physics, 11 (34). pp. 7476-7483. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b905008f)

dipeptides

Kausar, Nighat, Dines, Trevor J., Chowdhry, Babur Z. and Alexander, Bruce D. (2009) Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state. Physical Chemistry Chemical Physics, 11 (30). pp. 6389-6400. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b903131f)

DL-α-Aminobutyric acid

Owusu-Ware, Samuel K., Chowdhry, Babur, Leharne, Stephen A. and Antonijevic, Milan D. ORCID: 0000-0002-5847-7886 (2013) Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA. Physical Chemistry Chemical Physics, 15 (46). pp. 20046-20053. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C3CP52670D)

DL-β-Aminobutyric acid

Owusu-Ware, Samuel K., Chowdhry, Babur, Leharne, Stephen A. and Antonijevic, Milan D. ORCID: 0000-0002-5847-7886 (2013) Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA. Physical Chemistry Chemical Physics, 15 (46). pp. 20046-20053. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C3CP52670D)

Eley-Rideal

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2018) On the possibility of an Eley-Rideal mechanism for ammonia synthesis on Mn6N5+x (x=1)-(111) surfaces. Physical Chemistry Chemical Physics, 20 (27). pp. 18729-18736. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C8CP02381F)

embedding of Pd nanoparticles

Szilágyi, P.Á, Callini, E., Anastasopol, A., Kwakernaak, C., Sachdeva, S., van de Krol, R., Geerlings, H., Borgschulte, A., Züttel, A. and Dam, B. (2014) Probing hydrogen spillover in Pd@MIL-101(Cr) with a focus on hydrogen chemisorption. Physical Chemistry Chemical Physics, 16 (12). pp. 5803-5809. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp54898h)

GABA

Owusu-Ware, Samuel K., Chowdhry, Babur, Leharne, Stephen A. and Antonijevic, Milan D. ORCID: 0000-0002-5847-7886 (2013) Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA. Physical Chemistry Chemical Physics, 15 (46). pp. 20046-20053. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C3CP52670D)

gold nanoclusters

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Willock, David J., Machado, Andreia, Wilson, Karen and Lee, Adam F. (2013) Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study. Physical Chemistry Chemical Physics, 2014 (23):16. pp. 11202-11210. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp53691b)

H2 adsorption

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C7CP00806F)

hydrazine synthesis

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2019) Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces. Physical Chemistry Chemical Physics, 21 (35). pp. 19365-19377. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP03934A)

hydrogen storage

Szilágyi, P.Á, Callini, E., Anastasopol, A., Kwakernaak, C., Sachdeva, S., van de Krol, R., Geerlings, H., Borgschulte, A., Züttel, A. and Dam, B. (2014) Probing hydrogen spillover in Pd@MIL-101(Cr) with a focus on hydrogen chemisorption. Physical Chemistry Chemical Physics, 16 (12). pp. 5803-5809. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp54898h)

IR

Kausar, Nighat, Dines, Trevor J., Chowdhry, Babur Z. and Alexander, Bruce D. (2009) Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state. Physical Chemistry Chemical Physics, 11 (30). pp. 6389-6400. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b903131f)

IR spectroscopy

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP02968K)

L-aspartyl-L-glutamic acid

Kausar, Nighat, Dines, Trevor J., Chowdhry, Babur Z. and Alexander, Bruce D. (2009) Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state. Physical Chemistry Chemical Physics, 11 (30). pp. 6389-6400. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b903131f)

lactic acid

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP02968K)

lactic acid dehydration mechanism

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 and Catlow, C. Richard A. (2019) An experimental and computational IR and hybrid DFT-D3 study of the conformations of L-lactic and acrylic acid: new insight to the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics, 21 (40). pp. 22331-22343. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP02968K)

magnanese nitride

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2019) Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces. Physical Chemistry Chemical Physics, 21 (35). pp. 19365-19377. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP03934A)

Manganese nitride

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2018) On the possibility of an Eley-Rideal mechanism for ammonia synthesis on Mn6N5+x (x=1)-(111) surfaces. Physical Chemistry Chemical Physics, 20 (27). pp. 18729-18736. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C8CP02381F)

mechanism

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2019) Mechanisms of ammonia and hydrazine synthesis on η-Mn3N2-(100) surfaces. Physical Chemistry Chemical Physics, 21 (35). pp. 19365-19377. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C9CP03934A)

metal-organic frameworks

Szilágyi, P.Á, Callini, E., Anastasopol, A., Kwakernaak, C., Sachdeva, S., van de Krol, R., Geerlings, H., Borgschulte, A., Züttel, A. and Dam, B. (2014) Probing hydrogen spillover in Pd@MIL-101(Cr) with a focus on hydrogen chemisorption. Physical Chemistry Chemical Physics, 16 (12). pp. 5803-5809. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp54898h)

Mn6N5+x

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549 (2018) On the possibility of an Eley-Rideal mechanism for ammonia synthesis on Mn6N5+x (x=1)-(111) surfaces. Physical Chemistry Chemical Physics, 20 (27). pp. 18729-18736. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C8CP02381F)

molecular structure

Jabeen, Saima, Dines, Trevor J., Withnall, Robert, Leharne, Stephen A. and Chowdhry, Babur Z. (2009) Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization. Physical Chemistry Chemical Physics, 11 (34). pp. 7476-7483. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b905008f)

N2 adsorption

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C7CP00806F)

nitrogen activation

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C7CP00806F)

no hydrogen spillover

Szilágyi, P.Á, Callini, E., Anastasopol, A., Kwakernaak, C., Sachdeva, S., van de Krol, R., Geerlings, H., Borgschulte, A., Züttel, A. and Dam, B. (2014) Probing hydrogen spillover in Pd@MIL-101(Cr) with a focus on hydrogen chemisorption. Physical Chemistry Chemical Physics, 16 (12). pp. 5803-5809. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/c3cp54898h)

Raman

Jabeen, Saima, Dines, Trevor J., Withnall, Robert, Leharne, Stephen A. and Chowdhry, Babur Z. (2009) Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization. Physical Chemistry Chemical Physics, 11 (34). pp. 7476-7483. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b905008f)

Raman spectra

Kausar, Nighat, Dines, Trevor J., Chowdhry, Babur Z. and Alexander, Bruce D. (2009) Vibrational spectroscopy and DFT calculations of the di-amino acid peptide L-aspartyl-L-glutamic acid in the zwitterionic state. Physical Chemistry Chemical Physics, 11 (30). pp. 6389-6400. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b903131f)

rhodanines

Jabeen, Saima, Dines, Trevor J., Withnall, Robert, Leharne, Stephen A. and Chowdhry, Babur Z. (2009) Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization. Physical Chemistry Chemical Physics, 11 (34). pp. 7476-7483. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b905008f)

silver

Jabeen, Saima, Dines, Trevor J., Withnall, Robert, Leharne, Stephen A. and Chowdhry, Babur Z. (2009) Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization. Physical Chemistry Chemical Physics, 11 (34). pp. 7476-7483. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b905008f)

spectrum analysis

Jabeen, Saima, Dines, Trevor J., Withnall, Robert, Leharne, Stephen A. and Chowdhry, Babur Z. (2009) Surface-enhanced Raman scattering studies of rhodanines: Evidence for substrate surface-induced dimerization. Physical Chemistry Chemical Physics, 11 (34). pp. 7476-7483. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/b905008f)

Ta3N5

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C7CP00806F)

tantalum nitride

Zeinalipour-Yazdi, Constantinos D. ORCID: 0000-0002-8388-1549, Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A. (2017) DFT-D3 study of H 2 and N 2 chemisorption over cobalt promoted Ta 3 N 5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics, 2017 (19). pp. 11968-11974. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C7CP00806F)

Thermal gravimetric analysis

Owusu-Ware, Samuel K., Chowdhry, Babur, Leharne, Stephen A. and Antonijevic, Milan D. ORCID: 0000-0002-5847-7886 (2013) Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA. Physical Chemistry Chemical Physics, 15 (46). pp. 20046-20053. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C3CP52670D)

Thermally stimulated depolarisation current spectroscopy

Owusu-Ware, Samuel K., Chowdhry, Babur, Leharne, Stephen A. and Antonijevic, Milan D. ORCID: 0000-0002-5847-7886 (2013) Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA. Physical Chemistry Chemical Physics, 15 (46). pp. 20046-20053. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C3CP52670D)

γ-Aminobutyric acid

Owusu-Ware, Samuel K., Chowdhry, Babur, Leharne, Stephen A. and Antonijevic, Milan D. ORCID: 0000-0002-5847-7886 (2013) Novel analytical approaches for the study of mobility and relaxation phenomena in positional isomers of GABA. Physical Chemistry Chemical Physics, 15 (46). pp. 20046-20053. ISSN 1463-9076 (Print), 1463-9084 (Online) (doi:https://doi.org/10.1039/C3CP52670D)

This list was generated on Tue Nov 12 01:06:33 2019 UTC.