295 related articles for article (PubMed ID: 29498091)
21. Relationships between NMR shifts and interaction energies in biphenyls, alkanes, aza-alkanes, and oxa-alkanes with X─H
Lomas JS
Magn Reson Chem; 2019 Dec; 57(12):1121-1135. PubMed ID: 31218728
[TBL] [Abstract][Full Text] [Related]
22. Theoretical studies on hydrogen bonding, NMR chemical shifts and electron density topography in alpha, beta and gamma-cyclodextrin conformers.
Pinjari RV; Joshi KA; Gejji SP
J Phys Chem A; 2007 Dec; 111(51):13583-9. PubMed ID: 18052135
[TBL] [Abstract][Full Text] [Related]
23. Nature of intramolecular interactions of vitamin C in view of interacting quantum atoms: the role of hydrogen bond cooperativity on geometry.
Ebrahimi S; Dabbagh HA; Eskandari K
Phys Chem Chem Phys; 2016 Jul; 18(27):18278-88. PubMed ID: 27332782
[TBL] [Abstract][Full Text] [Related]
24. Quantifying the Intrinsic Strength of C-H⋯O Intermolecular Interactions.
Czernek J; Brus J; Czerneková V; Kobera L
Molecules; 2023 May; 28(11):. PubMed ID: 37298953
[TBL] [Abstract][Full Text] [Related]
25. Modulation of the strength of weak S-H⋯O hydrogen-bond: Spectroscopic study of the complexes of 2-flurothiophenol with methanol and ethanol.
Metya S; Roy S; Mandal S; Huang QR; Kuo JL; Das A
J Chem Phys; 2024 Jun; 160(22):. PubMed ID: 38856058
[TBL] [Abstract][Full Text] [Related]
26. B3LYP/6-311++G** study of monohydrates of alpha- and beta-D-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates.
Momany FA; Appell M; Strati G; Willett JL
Carbohydr Res; 2004 Feb; 339(3):553-67. PubMed ID: 15013392
[TBL] [Abstract][Full Text] [Related]
27. To what extent do bond length and angle govern the
Southern SA; Bryce DL
Solid State Nucl Magn Reson; 2022 Jun; 119():101795. PubMed ID: 35569343
[TBL] [Abstract][Full Text] [Related]
28. (R)-(-)-2-Pyrrolidinemethanol: A combined experimental and DFT vibrational analysis of monomers, dimers and hydrogen bonding.
Tonannavar J; Chavan YB; Yenagi J
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Oct; 149():860-8. PubMed ID: 26004095
[TBL] [Abstract][Full Text] [Related]
29. Cooperativity effect involving drug-DNA/RNA intermolecular interaction: A B3LYP-D3 and MP2 theoretical investigation on ketoprofen⋯cytosine⋯H
Zhen JP; Wei XC; Shi WJ; Huang ZY; Jin B; Zhou YK
J Biomol Struct Dyn; 2018 Nov; 36(14):3587-3606. PubMed ID: 29092677
[TBL] [Abstract][Full Text] [Related]
30. Solvent-Dependent Structures of Natural Products Based on the Combined Use of DFT Calculations and
Mari SH; Varras PC; ; Choudhary IM; Siskos MG; Gerothanassis IP
Molecules; 2019 Jun; 24(12):. PubMed ID: 31226776
[TBL] [Abstract][Full Text] [Related]
31. The electronic donation and frequency shifts on the YCCH⋯BH₄⁻ boron-bonded complexes (Y=H, CH₃, CF₃ and CCl₃).
Pordeus RQ; Rego DG; Oliveira BG
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun; 145():580-587. PubMed ID: 25812944
[TBL] [Abstract][Full Text] [Related]
32. DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory.
Momany FA; Appell M; Willett JL; Schnupf U; Bosma WB
Carbohydr Res; 2006 Mar; 341(4):525-37. PubMed ID: 16414033
[TBL] [Abstract][Full Text] [Related]
33. Interplay of unique N⋯π pnicogen and H⋯π/H⋯O hydrogen bonding interactions in the heterodimers of nitromethane with acetylene and benzene as π-electron donors: experimental characterization at low temperatures under isolated conditions with computational corroboration.
Mahapatra N; Chandra S; Ramanathan N; Sundararajan K
Phys Chem Chem Phys; 2022 Nov; 24(46):28411-28428. PubMed ID: 36398764
[TBL] [Abstract][Full Text] [Related]
34. Structural and vibrational spectral investigations of melaminium glutarate monohydrate by FTIR, FT-Raman and DFT methods.
Arjunan V; Marchewka MK; Raj A; Yang H; Mohan S
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():540-50. PubMed ID: 25123944
[TBL] [Abstract][Full Text] [Related]
35. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra.
Karabacak M; Sinha L; Prasad O; Asiri AM; Cinar M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():753-66. PubMed ID: 23892116
[TBL] [Abstract][Full Text] [Related]
36. Exploring the Non-Covalent Bonding in Water Clusters.
Seijas LE; Zambrano CH; Almeida R; Alí-Torres J; Rincón L; Torres FJ
Int J Mol Sci; 2023 Mar; 24(6):. PubMed ID: 36982342
[TBL] [Abstract][Full Text] [Related]
37. An NMR, IR and theoretical investigation of (1)H chemical shifts and hydrogen bonding in phenols.
Abraham RJ; Mobli M
Magn Reson Chem; 2007 Oct; 45(10):865-77. PubMed ID: 17729232
[TBL] [Abstract][Full Text] [Related]
38. Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO-LUMO energy, Mulliken charge and thermodynamic analysis of N'-hydroxy-pyrimidine-2-carboximidamide by DFT approach.
Jasmine NJ; Muthiah PT; Arunagiri C; Subashini A
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun; 144():215-25. PubMed ID: 25756689
[TBL] [Abstract][Full Text] [Related]
39. Role of O-H⋯O/S conventional hydrogen bonds in considerable C
An NT; Duong NT; Tri NN; Trung NT
RSC Adv; 2022 Dec; 12(54):35309-35319. PubMed ID: 36540253
[TBL] [Abstract][Full Text] [Related]
40. Effects of substituting a OH group by a F atom in D-glucose. Ab initio and DFT analysis.
Hoffmann M; Rychlewski J
J Am Chem Soc; 2001 Mar; 123(10):2308-16. PubMed ID: 11456879
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
