195 related articles for article (PubMed ID: 25965324)
1. "Zwitterionic Proton Sponge" Hydrogen Bonding Investigations on the Basis of Car-Parrinello Molecular Dynamics.
Jezierska A; Panek JJ
J Chem Inf Model; 2015 Jun; 55(6):1148-57. PubMed ID: 25965324
[TBL] [Abstract][Full Text] [Related]
2. Investigations of the very short hydrogen bond in the crystal of nitromalonamide via Car-Parrinello and path integral molecular dynamics.
Durlak P; Mierzwicki K; Latajka Z
J Phys Chem B; 2013 May; 117(18):5430-40. PubMed ID: 23577601
[TBL] [Abstract][Full Text] [Related]
3. Non-Covalent Forces in Naphthazarin-Cooperativity or Competition in the Light of Theoretical Approaches.
Jezierska A; Błaziak K; Klahm S; Lüchow A; Panek JJ
Int J Mol Sci; 2021 Jul; 22(15):. PubMed ID: 34360798
[TBL] [Abstract][Full Text] [Related]
4. Car-Parrinello Molecular Dynamics Simulations of Infrared Spectra of Crystalline Vitamin C with Analysis of Double Minimum Proton Potentials for Medium-Strong Hydrogen Bonds.
Brela MZ; Wójcik MJ; Boczar M; Witek Ł; Yasuda M; Ozaki Y
J Phys Chem B; 2015 Jun; 119(25):7922-30. PubMed ID: 26028251
[TBL] [Abstract][Full Text] [Related]
5. Unraveling the Nature of Hydrogen Bonds of "Proton Sponges" Based on Car-Parrinello and Metadynamics Approaches.
Kizior B; Michalczyk M; Panek JJ; Zierkiewicz W; Jezierska A
Int J Mol Sci; 2023 Jan; 24(2):. PubMed ID: 36675059
[TBL] [Abstract][Full Text] [Related]
6. Proton dynamics in the strong chelate hydrogen bond of crystalline picolinic acid N-oxide. A new computational approach and infrared, raman and INS study.
Stare J; Panek J; Eckert J; Grdadolnik J; Mavri J; Hadzi D
J Phys Chem A; 2008 Feb; 112(7):1576-86. PubMed ID: 18225869
[TBL] [Abstract][Full Text] [Related]
7. Revealing Intra- and Intermolecular Interactions Determining Physico-Chemical Features of Selected Quinolone Carboxylic Acid Derivatives.
Wojtkowiak K; Jezierska A; Panek JJ
Molecules; 2022 Apr; 27(7):. PubMed ID: 35408698
[TBL] [Abstract][Full Text] [Related]
8. Car-Parrinello simulation of hydrogen bond dynamics in sodium hydrogen bissulfate.
Pirc G; Stare J; Mavri J
J Chem Phys; 2010 Jun; 132(22):224506. PubMed ID: 20550407
[TBL] [Abstract][Full Text] [Related]
9. Effects of counterion and solvent on proton location and proton transfer dynamics of N-H···N hydrogen bond of monoprotonated 1,8-bis(dimethylamino)naphthalene.
Masuda Y; Mori Y; Sakurai K
J Phys Chem A; 2013 Oct; 117(41):10576-87. PubMed ID: 24053738
[TBL] [Abstract][Full Text] [Related]
10. Car-Parrinello simulation of an O-H stretching envelope and potential of mean force of an intramolecular hydrogen bonded system: application to a Mannich base in solid state and in vacuum.
Jezierska A; Panek JJ; Koll A; Mavri J
J Chem Phys; 2007 May; 126(20):205101. PubMed ID: 17552801
[TBL] [Abstract][Full Text] [Related]
11. Spectroscopic properties of a strongly anharmonic Mannich base N-oxide.
Jezierska A; Panek JJ; Koll A
Chemphyschem; 2008 Apr; 9(6):839-46. PubMed ID: 18338342
[TBL] [Abstract][Full Text] [Related]
12. Hydrogen bond dynamics of histamine monocation in aqueous solution: Car-Parrinello molecular dynamics and vibrational spectroscopy study.
Stare J; Mavri J; Grdadolnik J; Zidar J; Maksić ZB; Vianello R
J Phys Chem B; 2011 May; 115(19):5999-6010. PubMed ID: 21517054
[TBL] [Abstract][Full Text] [Related]
13. Naphthazarin Derivatives in the Light of Intra- and Intermolecular Forces.
Kułacz K; Pocheć M; Jezierska A; Panek JJ
Molecules; 2021 Sep; 26(18):. PubMed ID: 34577113
[TBL] [Abstract][Full Text] [Related]
14. Symmetry of N-H-N hydrogen bonds in 1,8-bis(dimethylamino)naphthalene.H+ and 2,7-dimethoxy-1,8-bis(dimethylamino)naphthalene.H+.
Perrin CL; Ohta BK
J Am Chem Soc; 2001 Jul; 123(27):6520-6. PubMed ID: 11439038
[TBL] [Abstract][Full Text] [Related]
15. A quantum description of the proton movement in an idealized NHN+ bridge.
Lankau T; Yu CH
Phys Chem Chem Phys; 2011 Jul; 13(28):12758-69. PubMed ID: 21691635
[TBL] [Abstract][Full Text] [Related]
16. Proton transfer reactions and dynamics in protonated water clusters.
Lao-Ngam C; Asawakun P; Wannarat S; Sagarik K
Phys Chem Chem Phys; 2011 Mar; 13(10):4562-75. PubMed ID: 21283848
[TBL] [Abstract][Full Text] [Related]
17. Hydrogen bridges of polycyclic aromatic systems with O-H···O bonds--a gas-phase vs. solid-state Car-Parrinello study.
Panek JJ; Jezierska A
J Mol Model; 2015 Jan; 21(1):15. PubMed ID: 25617206
[TBL] [Abstract][Full Text] [Related]
18. Excited state intramolecular proton transfer (ESIPT) in 2-(2'-hydroxyphenyl)benzoxazole and its naphthalene-fused analogs: a TD-DFT quantum chemical study.
Roohi H; Hejazi F; Mohtamedifar N; Jahantab M
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan; 118():228-38. PubMed ID: 24051295
[TBL] [Abstract][Full Text] [Related]
19. Exploring the Dynamical Nature of Intermolecular Hydrogen Bonds in Benzamide, Quinoline and Benzoic Acid Derivatives.
Wojtkowiak K; Jezierska A
Molecules; 2022 Dec; 27(24):. PubMed ID: 36557978
[TBL] [Abstract][Full Text] [Related]
20. Investigations of an O-H...S hydrogen bond via Car-Parrinello and path integral molecular dynamics.
Jezierska A; Panek JJ
J Comput Chem; 2009 Jun; 30(8):1241-50. PubMed ID: 18988272
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
