455 related articles for article (PubMed ID: 18785698)
61. Theoretical study on the stability of formylphenol and formylaniline compounds and corresponding radicals: O-H or N-H vs C-H bond dissociation.
Gomes JR
J Phys Chem A; 2009 Feb; 113(8):1628-34. PubMed ID: 19199682
[TBL] [Abstract][Full Text] [Related]
62. Observation of cysteine thiolate and -S...H-O intermolecular hydrogen bond.
Woo HK; Lau KC; Wang XB; Wang LS
J Phys Chem A; 2006 Nov; 110(46):12603-6. PubMed ID: 17107110
[TBL] [Abstract][Full Text] [Related]
63. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide.
da Silva G; Bozzelli JW
J Phys Chem A; 2007 Nov; 111(47):12026-36. PubMed ID: 17983209
[TBL] [Abstract][Full Text] [Related]
64. Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives.
Sánchez-Sanz G; Trujillo C; Alkorta I; Elguero J
J Phys Chem A; 2017 Nov; 121(46):8995-9003. PubMed ID: 29094935
[TBL] [Abstract][Full Text] [Related]
65. C(Ar)-H···O hydrogen bonds in substituted isobenzofuranone derivatives: geometric, topological, and NMR characterization.
Sigalov MV; Doronina EP; Sidorkin VF
J Phys Chem A; 2012 Jul; 116(29):7718-25. PubMed ID: 22734703
[TBL] [Abstract][Full Text] [Related]
66. Single-site mutation and secondary structure stability: an isodesmic reaction approach. The case of unnatural amino acid mutagenesis Ala-->Lac.
Cieplak AS; Sürmeli NB
J Org Chem; 2004 May; 69(10):3250-61. PubMed ID: 15132529
[TBL] [Abstract][Full Text] [Related]
67. Atom-based thermochemistry: crystal atomization and sublimation enthalpies in linear relationships to molecular atomization enthalpy.
von Szentpály L
J Am Chem Soc; 2008 May; 130(18):5962-73. PubMed ID: 18396880
[TBL] [Abstract][Full Text] [Related]
68. Boryl substitution of acetaldehyde makes it an enol: inconsistency between Gn/CBS and ab initio/DFT data.
Balabin RM
J Phys Chem A; 2010 Mar; 114(10):3698-702. PubMed ID: 20155960
[TBL] [Abstract][Full Text] [Related]
69. Benchmarking Compound Methods (CBS-QB3, CBS-APNO, G3, G4, W1BD) against the Active Thermochemical Tables: Formation Enthalpies of Radicals.
Somers KP; Simmie JM
J Phys Chem A; 2015 Aug; 119(33):8922-33. PubMed ID: 26171842
[TBL] [Abstract][Full Text] [Related]
70. Calorimetric and computational study of 3-buten-1-ol and 3-butyn-1-ol. Estimation of the enthalpies of formation of 1-alkenols and 1-alkynols.
Vélez E; Quijano J; Gaviria J; Roux MV; Jiménez P; Temprado M; Martín-Valcárcel G; Pérez-Parajón J; Notario R
J Phys Chem A; 2005 Sep; 109(34):7832-8. PubMed ID: 16834161
[TBL] [Abstract][Full Text] [Related]
71. Energetics of coumarin and chromone.
Matos MA; Sousa CC; Miranda MS; Morais VM; Liebman JF
J Phys Chem B; 2009 Aug; 113(32):11216-21. PubMed ID: 19618949
[TBL] [Abstract][Full Text] [Related]
72. The nature of solid-state N-H triplebondO/O-H triplebond N tautomeric competition in resonant systems. Intramolecular proton transfer in low-barrier hydrogen bonds formed by the triplebond O=C-C=N-NH triple bond --> <-- triplebond HO-C=C-N=N triplebond Ketohydrazone-Azoenol system. A variable-temperature X-ray crystallographic and DFT computational study.
Gilli P; Bertolasi V; Pretto L; Lycka A; Gilli G
J Am Chem Soc; 2002 Nov; 124(45):13554-67. PubMed ID: 12418911
[TBL] [Abstract][Full Text] [Related]
73. Thermochemistry of Hydroxyl and Hydroperoxide Substituted Furan, Methylfuran, and Methoxyfuran.
Hudzik JM; Bozzelli JW
J Phys Chem A; 2017 Jun; 121(23):4523-4544. PubMed ID: 28459571
[TBL] [Abstract][Full Text] [Related]
74. Thermochemistry and gas-phase ion energetics of 2-hydroxy-4-methoxy-benzophenone (oxybenzone).
Lago AF; Jimenez P; Herrero R; Dávalos JZ; Abboud JL
J Phys Chem A; 2008 Apr; 112(14):3201-8. PubMed ID: 18341312
[TBL] [Abstract][Full Text] [Related]
75. Theoretical investigation of hydrogen bonds between CO and HNF2, H2NF, and HNO.
Li AY
J Phys Chem A; 2006 Sep; 110(37):10805-16. PubMed ID: 16970375
[TBL] [Abstract][Full Text] [Related]
76. High-level ab initio predictions for the ionization energies and heats of formation of five-membered-ring molecules: thiophene, furan, pyrrole, 1,3-cyclopentadiene, and borole, C4H4X/C4H4X+ (X = S, O, NH, CH2, and BH).
Lo PK; Lau KC
J Phys Chem A; 2011 Feb; 115(5):932-9. PubMed ID: 21210670
[TBL] [Abstract][Full Text] [Related]
77. Oxygen-carbon bond dissociation enthalpies of benzyl phenyl ethers and anisoles. An example of temperature dependent substituent effects.
Pratt DA; de Heer MI; Mulder P; Ingold KU
J Am Chem Soc; 2001 Jun; 123(23):5518-26. PubMed ID: 11389634
[TBL] [Abstract][Full Text] [Related]
78. The Effect of Intramolecular Hydrogen Bond Type on the Gas-Phase Deprotonation of
Giricheva NI; Ivanov SN; Ignatova AV; Fedorov MS; Girichev GV
Molecules; 2020 Dec; 25(24):. PubMed ID: 33316963
[TBL] [Abstract][Full Text] [Related]
79. Remote substituent effects on N-X (X = H, F, Cl, CH3, Li) bond dissociation energies in para-substituted anilines.
Song KS; Liu L; Guo QX
J Org Chem; 2003 Jan; 68(2):262-6. PubMed ID: 12530847
[TBL] [Abstract][Full Text] [Related]
80. Combined experimental and computational study of the thermochemistry of the fluoroaniline isomers.
Ribeiro da Silva MA; Ferreira AI; Gomes JR
J Phys Chem B; 2007 Mar; 111(8):2052-61. PubMed ID: 17279791
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]