Search results
- 1.0584308 - ÚFCH JH 2025 RIV US eng J - Journal Article
Nemirovich, T. - Young, B. - Březina, K. - Mason, P. E. - Seidel, R. - Stemer, D. - Winter, B. - Jungwirth, P. - Bradforth, S. E. - Schewe, Hanns Christian
Stability and Reactivity of Aromatic Radical Anions in Solution with Relevance to Birch Reduction.
Journal of the American Chemical Society. Roč. 146, č. 12 (2024), s. 8043-8057. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GA24-10982S
Institutional support: RVO:61388955
Keywords : generalized gradient approximation * state perturbation-theory * photoelectron-spectroscopy * electronic-structure * vibrational-spectra * raman-spectra * hartree-fock * liquid water * naphthalene * benzene
OECD category: Physical chemistry
Impact factor: 15, year: 2022
Method of publishing: Open access
Permanent Link: https://hdl.handle.net/11104/0352239File Download Size Commentary Version Access 0584308.pdf 0 5.2 MB open access Publisher’s postprint open-access - 2.0369341 - ÚOCHB 2012 RIV US eng J - Journal Article
Wernersson, Erik - Heyda, Jan - Vazdar, Mario - Lund, M. - Mason, P. E. - Jungwirth, Pavel
Orientational Dependence of the Affinity of Guanidinium Ions to the Water Surface.
Journal of Physical Chemistry B. Roč. 115, č. 43 (2011), s. 12521-12526. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : guanidinium * water surface * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.696, year: 2011
Permanent Link: http://hdl.handle.net/11104/0006741 - 3.0359737 - ÚOCHB 2012 RIV US eng J - Journal Article
Dempsey, Ch. E. - Mason, P. E. - Jungwirth, Pavel
Complex Ion Effects on Polypeptide Conformational Stability: Chloride and Sulfate Salts of Guanidiniumand Tetrapropylammonium.
Journal of the American Chemical Society. Roč. 133, č. 19 (2011), s. 7300-7303. ISSN 0002-7863. E-ISSN 1520-5126
R&D Projects: GA ČR GA203/08/0114; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : guanidinium * tetrapropylammonium * CD spectroscopy
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 9.907, year: 2011
Permanent Link: http://hdl.handle.net/11104/0197464 - 4.0350694 - ÚOCHB 2011 RIV US eng J - Journal Article
Mason, P. E. - Heyda, Jan - Fischer, H. E. - Jungwirth, Pavel
Specific Interactions of Ammonium Functionalities in Amino Acids with Aqueous Fluoride and Iodide.
Journal of Physical Chemistry B. Roč. 114, č. 43 (2010), s. 13853-13860. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : ammonium * water * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006145 - 5.0345889 - ÚOCHB 2011 RIV US eng J - Journal Article
Heyda, Jan - Mason, P. E. - Jungwirth, Pavel
Attractive Interactions between Side Chains of Histidine-Histidine and Histidine-Arginine-Based Cationic Dipeptides in Water.
Journal of Physical Chemistry B. Roč. 114, č. 26 (2010), s. 8744-8749. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : molecular dynamics * histidine * ion pairing
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.603, year: 2010
Permanent Link: http://hdl.handle.net/11104/0005961 - 6.0328117 - ÚOCHB 2010 RIV US eng J - Journal Article
Vondrášek, Jiří - Mason, P. E. - Heyda, Jan - Collins, K. D. - Jungwirth, Pavel
The molecular origin of like-charge arginine-arginine pairing in water.
Journal of Physical Chemistry B. Roč. 113, č. 27 (2009), s. 9041-9045. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : arginine * molecular dynamics * ab initio calculations
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.471, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005416 - 7.0324827 - ÚOCHB 2009 RIV US eng J - Journal Article
Mason, P. E. - Dempsey, Ch. E. - Vrbka, L. - Heyda, Jan - Brady, J. W. - Jungwirth, Pavel
Specificity of ion-protein interactions: Complementary and competitive effects of tetrapropylammonium, guanidinium, sulfate, and chloride ions.
[Specificita interakcí ion-bílkovina: Komplementární a kompetitivní efekty tetrapropylamonia, guanidinia, sulfátu a chloridových iontů.]
Journal of Physical Chemistry B. Roč. 113, č. 10 (2009), s. 3227-3234. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA MŠMT LC512; GA ČR(CZ) GD203/05/H001; GA ČR GA203/08/0114
Institutional research plan: CEZ:AV0Z40550506
Keywords : ion-protein interactions * tetrapropylammonium * molecular dynamics
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.471, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005207