المؤلفون: Amit Srivastava, Sufian Abedrabbo, Jamal Hassan, Dirar Homouz

المصدر: Scientific Reports, Vol 14, Iss 1, Pp 1-11 (2024)

مصطلحات موضوعية: Carbon nanotube, Water dynamics, Hydrogen bond dynamics, Molecular dynamics simulations, Medicine, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2045-2322

URL الوصول: https://doaj.org/article/6e7bafeabb9c4a66bf6256108c1db742

المؤلفون: Dexia Zhou, Fang Zhang, Baihui Wang, Jiman He, Yimin Bai, Hongtao Bian

مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, type activated process, sup >–, sup >+, principal governing factor, overall orientational relaxation, nonlinear ir spectroscopy, noncovalent interactions stands, negligible temperature effect, dominant driving force, contact ion pairs, 0 ± 1, 0 kj mol, suggesting entropy changes, hydrogen bond dynamics, highlighting enthalpy changes, ultrafast structural dynamics, structural dynamics, conformational changes, systematically investigated, supramolecular chemistry, substantially advances, sodium cyanate, profound influence, framed within, emerging field

Relation: https://figshare.com/articles/journal_contribution/Anion_Recognition_in_Solution_Insights_from_Thermodynamics_and_Ultrafast_Structural_Dynamics/24757642

الاتاحة: https://doi.org/10.1021/acs.jpclett.3c02996.s001
https://figshare.com/articles/journal_contribution/Anion_Recognition_in_Solution_Insights_from_Thermodynamics_and_Ultrafast_Structural_Dynamics/24757642

المؤلفون: Jiaan Gao, Yifu Zhang, Hongyan Mu, Min Yang, Xiaotong Guan, Guangyong Jin, Hui Li

المصدر: International Journal of Molecular Sciences ; Volume 24 ; Issue 18 ; Pages: 13899

مصطلحات موضوعية: excited-state intramolecular proton transfer, density functional theory, potential energy curve, excited-state hydrogen bond dynamics, two different channels

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Biochemistry; https://dx.doi.org/10.3390/ijms241813899

الاتاحة: https://doi.org/10.3390/ijms241813899

المؤلفون: Amit Srivastava, Jamal Hassan, Dirar Homouz

المصدر: Nanomaterials; Volume 13; Issue 2; Pages: 284

مصطلحات موضوعية: carbon nanotubes, water, hydrogen bond dynamics, molecular dynamics simulation

وصف الملف: application/pdf

Relation: 2D and Carbon Nanomaterials; https://dx.doi.org/10.3390/nano13020284

الاتاحة: https://doi.org/10.3390/nano13020284

المؤلفون: Xin Zhao, Lixia Zhu, Qi Li, Hang Yin, Ying Shi

المصدر: International Journal of Molecular Sciences; Volume 23; Issue 22; Pages: 13969

مصطلحات موضوعية: excited-state intramolecular proton transfer, thermally activated delayed fluorescence, spin-orbit coupling, hydrogen-bond dynamics, electron-hole distribution

جغرافية الموضوع: agris

وصف الملف: application/pdf

Relation: Physical Chemistry and Chemical Physics; https://dx.doi.org/10.3390/ijms232213969

الاتاحة: https://doi.org/10.3390/ijms232213969

المؤلفون: Federico Coppola, Fulvio Perrella, Alessio Petrone, Greta Donati, Nadia Rega

المصدر: Frontiers in Molecular Biosciences, Vol 7 (2020)

مصطلحات موضوعية: hydrogen bond dynamics, fluorescent proteins, ab initio molecular dynamics, structure-function correlation, QM/MM, Biology (General), QH301-705.5

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmolb.2020.569990/full; https://doaj.org/toc/2296-889X

URL الوصول: https://doaj.org/article/b15ef13575814f4b964dacc041da3b26

المؤلفون: Harder, Edward, Eaves, Joel D., Tokmakoff, Andrei, Berne, B. J.

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2005 Aug . 102(33), 11611-11616.

URL الوصول: https://www.jstor.org/stable/3376318

المؤلفون: Baiz, Carlos R., Blasiak, Bartosz, Bredenbeck, Jens, Cho, Minhaeng, Choi, Jun-Ho, Corcelli, Steven A., Dijkstra, Arend G., Feng, Chi-Jui, Garrett-Roe, Sean, Ge, Nien-Hui, Hanson-Heine, Magnus W. D., Hirst, Jonathan D., Jansen, Thomas L. C., Kwac, Kijeong, Kubarych, Kevin J., Londergan, Casey H., Maekawa, Hiroaki, Reppert, Mike, Saito, Shinji, Roy, Santanu, Skinner, James L., Stock, Gerhard, Straub, John E., Thielges, Megan C., Tominaga, Keisuke, Tokmakoff, Andrei, Torii, Hajime, Wang, Lu, Webb, Lauren J., Zanni, Martin T.

المصدر: Baiz , C R , Blasiak , B , Bredenbeck , J , Cho , M , Choi , J-H , Corcelli , S A , Dijkstra , A G , Feng , C-J , Garrett-Roe , S , Ge , N-H , Hanson-Heine , M W D , Hirst , J D , Jansen , T L C , Kwac , K , Kubarych , K J , Londergan , C H , Maekawa , H , Reppert , M , Saito , S , Roy , S , Skinner , J L , Stock , G , ....

مصطلحات موضوعية: 2D IR SPECTROSCOPY, 2-DIMENSIONAL INFRARED-SPECTROSCOPY, PROTEIN SECONDARY STRUCTURE, HYDROGEN-BOND DYNAMICS, SOLVATOCHROMIC COMPARISON METHOD, CLASSICAL MOLECULAR-DYNAMICS, FREQUENCY GENERATION SPECTROSCOPY, (CD-ALPHA)-D-ALPHA STRETCH MODE, TIME-DOMAIN CALCULATIONS, CARBON-DEUTERIUM BONDS

وصف الملف: application/pdf

الاتاحة: https://hdl.handle.net/11370/f099fa86-6a5a-4872-9bff-f7f3233f7120
https://research.rug.nl/en/publications/f099fa86-6a5a-4872-9bff-f7f3233f7120
https://doi.org/10.1021/acs.chemrev.9b00813
https://pure.rug.nl/ws/files/133407575/acs.chemrev.9b00813.pdf

المؤلفون: Wan-Chi Lee, Anshaj Ronghe, Luis Francisco Villalobos, Shiqi Huang, Mostapha Dakhchoune, Mounir Mensi, Kuang-Jung Hsu, K. Ganapathy Ayappa, Kumar Varoon Agrawal

المصدر: ACS Nano. 16:15382-15396

مصطلحات موضوعية: mechanisms, density, hydrogen-bond dynamics, General Engineering, transition, General Physics and Astronomy, graphene nanopores, reduction, evaporation kinetics, molecular-dynamics simulation, molecular dynamics, nanotubes, condensation, desalination, phase transition, water evaporation, transport, General Materials Science, enhancement

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8b2ad179db85cec7924bb5ff7ad029a8
https://doi.org/10.1021/acsnano.2c07193

المؤلفون: Daub, Christopher D., Hänninen, Vesa, Halonen, Lauri

المساهمون: Department of Chemistry

مصطلحات موضوعية: LIQUID-VAPOR INTERFACE, HYDROGEN-BOND DYNAMICS, HYDRATION STRUCTURE, NEUTRON-SCATTERING, ION SOLVATION, WATER, DENSITY, SURFACE, LI+, MONOVALENT, Chemical sciences, Physical sciences

وصف الملف: application/pdf

Relation: The authors thank the Academy of Finland (grant number 294752) for funding and Finland's Center for Scientific Computing (CSC) for computing resources.; Daub , C D , Hänninen , V & Halonen , L 2019 , ' Ab Initio Molecular Dynamics Simulations of the Influence of Lithium Bromide on the Structure of the Aqueous Solution-Air Interface ' , Journal of Physical Chemistry B , vol. 123 , no. 3 , pp. 729-737 . https://doi.org/10.1021/acs.jpcb.8b10552; ORCID: /0000-0002-4290-9058/work/54151114; http://hdl.handle.net/10138/301152; 4d5ba352-04f2-47fd-91d4-b009733aa6a2; 85060049102; 000457067400019

الاتاحة: http://hdl.handle.net/10138/301152

المؤلفون: Dvořák, Petr

المساهمون: Lang, Jan, Hanyková, Lenka, Hritz, Jozef

مصطلحات موضوعية: NMR|relaxation|hydrogen bond|dynamics, NMR|relaxace|vodíková vazba|dynamika

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______2186::b7d8dac40d86628eeab10f780439e3ed
http://www.nusl.cz/ntk/nusl-521999

المؤلفون: Dvořák, Petr

المساهمون: Lang, Jan, Hanyková, Lenka, Hritz, Jozef

مصطلحات موضوعية: NMR|relaxation|hydrogen bond|dynamics, NMR|relaxace|vodíková vazba|dynamika

وصف الملف: application/pdf; application/zip

Relation: http://hdl.handle.net/20.500.11956/180081; 136206

الاتاحة: https://hdl.handle.net/20.500.11956/180081

المصدر: Chemical reviews. 120(15):7152-7218

مصطلحات موضوعية: HYDROGEN-BOND DYNAMICS, PROTEIN SECONDARY STRUCTURE, 2D IR SPECTROSCOPY, 2-DIMENSIONAL INFRARED-SPECTROSCOPY, CARBON-DEUTERIUM BONDS, SOLVATOCHROMIC COMPARISON METHOD, (CD-ALPHA)-D-ALPHA STRETCH MODE, FREQUENCY GENERATION SPECTROSCOPY, CLASSICAL MOLECULAR-DYNAMICS, TIME-DOMAIN CALCULATIONS

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dris___01423::220f73edbf686c5d9b10e6ba81552775
https://research.rug.nl/en/publications/f099fa86-6a5a-4872-9bff-f7f3233f7120

المؤلفون: Fenn, Emily E., Wong, Daryl B., Fayer, M. D.

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2009 Sep 01. 106(36), 15243-15248.

URL الوصول: https://www.jstor.org/stable/40484696

المؤلفون: Moilanen, David E., Wong, Daiyl, Rosenfeld, Daniel E., Fenn, Emily E., Fayer, M. D.

المصدر: Proceedings of the National Academy of Sciences of the United States of America, 2009 Jan . 106(2), 375-380.

URL الوصول: https://www.jstor.org/stable/40254787

المؤلفون: Mike Reppert, Hajime Torii, Keisuke Tominaga, Kijeong Kwac, Gerhard Stock, Bartosz Błasiak, Sean Garrett-Roe, John E. Straub, Andrei Tokmakoff, Kevin J. Kubarych, Hiroaki Maekawa, James L. Skinner, Martin T. Zanni, Nien-Hui Ge, Carlos R. Baiz, Thomas L. C. Jansen, Santanu Roy, Arend G. Dijkstra, Casey H. Londergan, Shinji Saito, Minhaeng Cho, Lu Wang, Jun Ho Choi, Jonathan D. Hirst, Jens Bredenbeck, Magnus W. D. Hanson-Heine, Chi-Jui Feng, Megan C. Thielges, Steven A. Corcelli, Lauren J. Webb

المصدر: Chem Rev
Chemical reviews, vol 120, iss 15

مصطلحات موضوعية: 2-DIMENSIONAL INFRARED-SPECTROSCOPY, Static Electricity, Infrared spectroscopy, 010402 general chemistry, Spectrum Analysis, Raman, 01 natural sciences, Vibration, Article, HYDROGEN-BOND DYNAMICS, PROTEIN SECONDARY STRUCTURE, Protein structure, 2D IR SPECTROSCOPY, Intermolecular interaction, (CD-ALPHA)-D-ALPHA STRETCH MODE, Humans, CARBON-DEUTERIUM BONDS, 010405 organic chemistry, Chemistry, Spectrum Analysis, Solvatochromism, Intermolecular force, SOLVATOCHROMIC COMPARISON METHOD, Proteins, General Chemistry, CLASSICAL MOLECULAR-DYNAMICS, 0104 chemical sciences, Nonlinear system, Order (biology), Models, Chemical, Chemical physics, Molecular vibration, Chemical Sciences, FREQUENCY GENERATION SPECTROSCOPY, TIME-DOMAIN CALCULATIONS

وصف الملف: PDF; application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::31f0115b180b73245c9931e3c7c5b209
https://europepmc.org/articles/PMC7710120/

المؤلفون: Lauri Halonen, Vesa Hänninen, Christopher D. Daub

المساهمون: Department of Chemistry

المصدر: The Journal of Physical Chemistry. B

مصطلحات موضوعية: LI+, ION SOLVATION, Materials science, SURFACE, 116 Chemical sciences, MONOVALENT, LIQUID-VAPOR INTERFACE, Neutron scattering, 010402 general chemistry, 114 Physical sciences, 01 natural sciences, Article, Ion, HYDROGEN-BOND DYNAMICS, chemistry.chemical_compound, Polarizability, 0103 physical sciences, Materials Chemistry, WATER, Molecule, Physical and Theoretical Chemistry, Aqueous solution, 010304 chemical physics, Hydrogen bond, Lithium bromide, 0104 chemical sciences, Surfaces, Coatings and Films, Solvent, chemistry, NEUTRON-SCATTERING, Chemical physics, DENSITY, HYDRATION STRUCTURE

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f2dd38019b20aec84628abf70fb0211
https://doi.org/10.1021/acs.jpcb.8b10552

المؤلفون: Lessing, Joshua, Roy, Santanu, Reppert, Mike, Baer, Marcel, Marx, Dominik, Jansen, Thomas La Cour, Knoester, Jasper, Tokmakoff, Andrei

المصدر: Lessing , J , Roy , S , Reppert , M , Baer , M , Marx , D , Jansen , T L C , Knoester , J & Tokmakoff , A 2012 , ' Identifying Residual Structure in Intrinsically Disordered Systems : A 2D IR Spectroscopic Study of the GVGXPGVG Peptide ' , Journal of the American Chemical Society , vol. 134 , no. 11 , pp. 5032-5035 . https://doi.org/10.1021/ja2114135

مصطلحات موضوعية: HYDROGEN-BOND DYNAMICS, SHORT LINEAR PEPTIDE, BETA-HAIRPIN, INFRARED-SPECTROSCOPY, MOLECULAR-DYNAMICS, AQUEOUS-SOLUTION, NMR EVIDENCE, ELASTIN, MODEL, COLLAGEN

وصف الملف: application/pdf

Relation: https://research.rug.nl/en/publications/ff19c09b-088a-48f0-afee-2111a9b19252

الاتاحة: https://hdl.handle.net/11370/ff19c09b-088a-48f0-afee-2111a9b19252
https://research.rug.nl/en/publications/ff19c09b-088a-48f0-afee-2111a9b19252
https://doi.org/10.1021/ja2114135
https://pure.rug.nl/ws/files/6776580/2012JAmChemSocLessing.pdf
https://pure.rug.nl/ws/files/6776581/2012JAmChemSocLessingSupp.pdf

المؤلفون: Roy, Santanu, Pshenichnikov, Maxim S., Jansen, Thomas L. C.

المصدر: Roy , S , Pshenichnikov , M S & Jansen , T L C 2011 , ' Analysis of 2D CS Spectra for Systems with Non-Gaussian Dynamics ' , Journal of Physical Chemistry B , vol. 115 , no. 18 , pp. 5431-5440 . https://doi.org/10.1021/jp109742p

مصطلحات موضوعية: ULTRAFAST INFRARED-SPECTROSCOPY, HYDROGEN-BOND DYNAMICS, N-METHYLACETAMIDE, FREQUENCY FLUCTUATION, LIQUID WATER, REAL-TIME, ECHO, DEPENDENCE, PEPTIDES, IR

وصف الملف: application/pdf

الاتاحة: https://hdl.handle.net/11370/76187949-6d7f-4ecb-af1b-63152f608542
https://research.rug.nl/en/publications/76187949-6d7f-4ecb-af1b-63152f608542
https://doi.org/10.1021/jp109742p
https://pure.rug.nl/ws/files/6761859/2011JPhysChemBRoy.pdf

المؤلفون: Jansen, T. L. C., Auer, B. M., Yang, Mino, Skinner, J. L.

المصدر: Jansen , T L C , Auer , B M , Yang , M & Skinner , J L 2010 , ' Two-dimensional infrared spectroscopy and ultrafast anisotropy decay of water ' , Journal of Chemical Physics , vol. 132 , no. 22 , 224503 . https://doi.org/10.1063/1.3454733

مصطلحات موضوعية: VIBRATIONAL-ENERGY RELAXATION, HYDROGEN-BOND DYNAMICS, LIQUID WATER, AMIDE-I, DILUTE HOD, D2O, COUPLINGS, PEPTIDES, RAMAN, H2O

وصف الملف: application/pdf

Relation: https://research.rug.nl/en/publications/1af64f9d-b25b-497a-8fe2-5bea2fa7442f

الاتاحة: https://hdl.handle.net/11370/1af64f9d-b25b-497a-8fe2-5bea2fa7442f
https://research.rug.nl/en/publications/1af64f9d-b25b-497a-8fe2-5bea2fa7442f
https://doi.org/10.1063/1.3454733
https://pure.rug.nl/ws/files/66612016/1.3454733.pdf