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An ab initio molecular orbital study of the structures and energies of neutral and charged bimolecular complexes of NH<sub>3</sub> with the hydrides AH<sub> n</sub> (A = N, O, F, P, S, and Cl).
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 5, p. 603, doi. 10.1002/jcc.540100503
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- Publication type:
- Article
Basis set and correlation effects on computed positive ion hydrogen bond energies of the complexes AH<sub> n</sub> · AH<sub> n + 1</sub><sup>+1</sup>: AH<sub> n</sub> = NH<sub>3</sub>, OH<sub>2</sub>, and FH.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 6, p. 810, doi. 10.1002/jcc.540080609
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- Publication type:
- Article
Basis set and correlation effects on computed lithium ion affinities of some oxygen and nitrogen bases.
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- Journal of Computational Chemistry, 1986, v. 7, n. 3, p. 259, doi. 10.1002/jcc.540070303
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- Publication type:
- Article
Basis set and correlation effects on computed proton affinities of some oxygen and nitrogen bases.
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- Journal of Computational Chemistry, 1985, v. 6, n. 4, p. 296, doi. 10.1002/jcc.540060406
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- Publication type:
- Article
Geometry, basis set, and correlation energy dependence of computed protonation energies of imino bases.
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- Journal of Computational Chemistry, 1984, v. 5, n. 4, p. 381, doi. 10.1002/jcc.540050416
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- Publication type:
- Article
Molecular orbital theory of the hydrogen bond. XXX. Water-cytosine complexes.
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- Journal of Computational Chemistry, 1983, v. 4, n. 2, p. 226, doi. 10.1002/jcc.540040213
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- Publication type:
- Article
Molecular orbital theory of the hydrogen bond. 27. Substituent effects in water: 4-R-pyrimidine complexes.
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- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 422, doi. 10.1002/jcc.540020411
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- Publication type:
- Article
Molecular orbital theory of the hydrogen bond. 26. The hydration of uracil.
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- Journal of Computational Chemistry, 1981, v. 2, n. 4, p. 416, doi. 10.1002/jcc.540020410
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- Publication type:
- Article
Ab initio study of 4-monosubstituted pyrimidines in ground and excited n → π* states.
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- Journal of Computational Chemistry, 1981, v. 2, n. 3, p. 251, doi. 10.1002/jcc.540020306
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- Publication type:
- Article
Molecular orbital theory of the hydrogen bond. 25. Water-uracil complexes in excited n → π.
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- Journal of Computational Chemistry, 1981, v. 2, n. 2, p. 200, doi. 10.1002/jcc.540020210
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- Publication type:
- Article
Molecular orbital theory of the hydrogen bond. 24. Ground-state water-uracil complexes.
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- Journal of Computational Chemistry, 1981, v. 2, n. 2, p. 188, doi. 10.1002/jcc.540020209
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- Publication type:
- Article
Underdiagnosis and undertreatment of migraine in Italy: a survey of patients attending for the first time 10 headache centres.
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- Cephalalgia, 2009, v. 29, n. 12, p. 1285, doi. 10.1111/j.1468-2982.2009.01874.x
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- Publication type:
- Article
Hypofunctionality of Gi proteins as aetiopathogenic mechanism for migraine and cluster headache.
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- 2001
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- Publication type:
- journal article
Multinuclear NMR Characterization of Cyanuric Fluoride (2,4,6-Trifluoro-1,3,5-triazine).
- Published in:
- Journal of Heterocyclic Chemistry, 2012, v. 49, n. 5, p. 1257, doi. 10.1002/jhet.1076
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- Publication type:
- Article
Carbenes as Electron-Pair Donors for P⋅⋅⋅C Pnicogen Bonds.
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- ChemPhysChem, 2017, v. 18, n. 12, p. 1597, doi. 10.1002/cphc.201700187
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- Publication type:
- Article
Boron as an Electron-Pair Donor for B⋅⋅⋅Cl Halogen Bonds.
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- ChemPhysChem, 2016, v. 17, n. 19, p. 3112, doi. 10.1002/cphc.201600435
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- Publication type:
- Article
Using (FH)<sub>2</sub> and (FH)<sub>3</sub> to Bridge the σ-Hole and the Lone Pair at P in Complexes with H<sub>2</sub>XP, for X=CH<sub>3</sub>, OH, H, CCH, F, Cl, NC, and CN.
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- ChemPhysChem, 2016, v. 17, n. 10, p. 1475, doi. 10.1002/cphc.201600048
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- Publication type:
- Article
Cooperativity and Proton Transfer in Hydrogen-Bonded Triads.
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- ChemPhysChem, 2005, v. 6, n. 7, p. 1411, doi. 10.1002/cphc.200500089
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- Publication type:
- Article
Calculated coupling constants <sup>1</sup>J(X–Y) and <sup>1</sup>K(X–Y), and fundamental relationships among the reduced coupling constants for molecules H<sub>m</sub>X–YH<sub>n</sub>, with X, Y ═ <sup>1</sup>H, <sup>7</sup>Li, <sup>9</sup>Be, <sup>11</sup>B, <sup>13</sup>C, <sup>15</sup>N, <sup>17</sup>O, <sup>19</sup>F, <sup>31</sup>P, <sup>33</sup>S, and <sup>35</sup>Cl
- Published in:
- Magnetic Resonance in Chemistry, 2020, v. 58, n. 8, p. 727, doi. 10.1002/mrc.5026
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- Publication type:
- Article
Difluorobenzenes revisited: an experimental and theoretical study of spin-spin coupling constants for 1,2-, 1,3-, and 1,4-difluorobenzene.
- Published in:
- Magnetic Resonance in Chemistry, 2010, v. 48, n. 1, p. 68, doi. 10.1002/mrc.2543
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- Publication type:
- Article
Resolving an apparent discrepancy between theory and experiment: spin-spin coupling constants for FCCF.
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- Magnetic Resonance in Chemistry, 2008, v. 46, n. 11, p. 1003, doi. 10.1002/mrc.2304
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- Publication type:
- Article
Spin-spin coupling across intramolecular NH<sup>+</sup>N hydrogen bonds in models for proton sponges: an ab initio investigation.
- Published in:
- Magnetic Resonance in Chemistry, 2008, v. 46, n. 5, p. 457, doi. 10.1002/mrc.2199
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- Publication type:
- Article
A theoretical study of diborenes HLB=BLH for L=CO, NH<sub>3</sub>, OH<sub>2</sub>, PH<sub>3</sub>, SH<sub>2</sub>, ClH: structures, energies, and spin–spin coupling constants.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 124, n. 3/4, p. 187, doi. 10.1007/s00214-009-0599-8
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- Publication type:
- Article
Complexes H<sub>2</sub>CO:PXH<sub>2</sub> and HCO<sub>2</sub>H : PXH<sub>2</sub> for X=NC, F, Cl, CN, OH, CCH, CH<sub>3</sub>, and H: Pnicogen Bonds and Hydrogen Bonds.
- Published in:
- ChemPhysChem, 2020, v. 21, n. 8, p. 741, doi. 10.1002/cphc.202000099
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- Publication type:
- Article
Complexes of O=C=S with Nitrogen Bases: Chalcogen Bonds, Tetrel Bonds, and Other Secondary Interactions.
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- ChemPhysChem, 2018, v. 19, n. 15, p. 1886, doi. 10.1002/cphc.201800217
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- Publication type:
- Article
Efficacy of dosing and re-dosing of two oral fixed combinations of indomethacin, prochlorperazine and caffeine compared with oral sumatriptan in the acute treatment of multiple migraine attacks: a double-blind, double-dummy, randomised, parallel group.
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- 2007
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- Publication type:
- Journal Article
Efficacy of dosing and re-dosing of two oral fixed combinations of indomethacin, prochlorperazine and caffeine compared with oral sumatriptan in the acute treatment of multiple migraine attacks: a double-blind, double-dummy, randomised, parallel group, multicentre study
- Published in:
- International Journal of Clinical Practice, 2007, v. 61, n. 8, p. 1256, doi. 10.1111/j.1742-1241.2007.01458.x
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- Publication type:
- Article
H<sub>2</sub>XP: OH<sub>2</sub> Complexes: Hydrogen vs. Pnicogen Bonds.
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- Crystals (2073-4352), 2016, v. 6, n. 2, p. 19, doi. 10.3390/cryst6020019
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- Publication type:
- Article
Do corresponding coupling constants in hydrogen-bonded homo- and hetero-chiral dimers differ?
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- Canadian Journal of Chemistry, 2010, v. 88, n. 8, p. 694, doi. 10.1139/V09-177
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- Publication type:
- Article
Substituent Effects on B-N Bonding and Coupling Constants in Five-membered Rings N<sub>3</sub>B<sub>2</sub>H<sub>4</sub>X and N<sub>2</sub>B<sub>3</sub>H<sub>4</sub>X, for X = H, F, and Li.
- Published in:
- Croatica Chemica Acta, 2009, v. 82, n. 1, p. 149
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- Publication type:
- Article
Structure and properties of NH<sub>5</sub><sup>2+</sup>: A dication with two 2-electron 3-center bonds.
- Published in:
- International Journal of Quantum Chemistry, 1998, v. 70, n. 4/5, p. 1003, doi. 10.1002/(SICI)1097-461X(1998)70:4/5<1003::AID-QUA46>3.0.CO;2-3
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- Publication type:
- Article
Hydrogen bonding: Methodology and applications to complexes of HF and HCl with HCN and CH<sub>3</sub>CN.
- Published in:
- International Journal of Quantum Chemistry, 1992, v. 44, p. 527, doi. 10.1002/qua.560440848
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- Publication type:
- Article
A theoretical study of the complexes of N<sub>2</sub>O with H<sup>+</sup>, Li<sup>+</sup>, and HF using various correlation methods.
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- International Journal of Quantum Chemistry, 1990, v. 38, p. 455, doi. 10.1002/qua.560382445
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- Publication type:
- Article
Comparison of theoretical methods for the determination of the Li<sup>+</sup> Affinities of neutral and anionic first- and second-row bases.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, p. 365, doi. 10.1002/qua.560382436
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- Publication type:
- Article
A theoretical study of the complexes of N.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, p. 455, doi. 10.1002/qua.560382445
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- Publication type:
- Article
Comparison of theoretical methods for the determination of the Li.
- Published in:
- International Journal of Quantum Chemistry, 1990, v. 38, p. 365, doi. 10.1002/qua.560382436
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- Publication type:
- Article
Comparison of methods for determining the correlation contribution to hydrogen bond energies.
- Published in:
- International Journal of Quantum Chemistry, 1989, v. 36, p. 445, doi. 10.1002/qua.560360846
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- Publication type:
- Article
An ab initio study of the structures and stabilities of the complexes of the bases N.
- Published in:
- International Journal of Quantum Chemistry, 1989, v. 36, p. 371, doi. 10.1002/qua.560360841
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- Publication type:
- Article
The electronic structure and electrostatics of nitrous oxide.
- Published in:
- International Journal of Quantum Chemistry, 1989, v. 36, p. 363, doi. 10.1002/qua.560360840
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- Publication type:
- Article
Basis set and correlation effects on computed negative ion hydrogen bond energies of the complexes AH<sub> n</sub> · AH<sub>n−1</sub><sup>−1</sup>: AH<sub> n</sub> NH<sub>3</sub>, OH<sub>2</sub>, and FH.
- Published in:
- International Journal of Quantum Chemistry, 1987, v. 32, p. 27, doi. 10.1002/qua.560320807
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- Publication type:
- Article
1,2-Dihydro-1,3,2-diazaborinine tautomer as an electron-pair donor in hydrogen-bonded complexes.
- Published in:
- Canadian Journal of Chemistry, 2021, v. 99, n. 12, p. 950, doi. 10.1139/cjc-2021-0072
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- Publication type:
- Article
Impact of different statistical methodologies on the evaluation of the in-vitro MICs for Bacteroides fragilis of selected cephalosporins and cephamycins.
- Published in:
- 1993
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- Publication type:
- journal article
Impact of different statistical methodologies on the evaluation of the in-vitro MICs for Bacteroides fragilis of selected cephalosporins and cephamycins.
- Published in:
- Journal of Antimicrobial Chemotherapy (JAC), 1993, v. 31, n. 1, p. 57
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- Publication type:
- Article
Phantom Limb Pain: Sub-Hallucinogenic Treatment With Lysergic Acid Diethylamide (LSD-25).
- Published in:
- Headache: The Journal of Head & Face Pain, 1977, v. 17, n. 3, p. 118, doi. 10.1111/j.1526-4610.1977.hed1703118.x
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- Publication type:
- Article
FENFLURAMINE HEADACHE.
- Published in:
- Headache: The Journal of Head & Face Pain, 1976, v. 16, n. 4, p. 185, doi. 10.1111/j.1526-4610.1976.hed1604185.x
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- Publication type:
- Article
Use of Body Computed Tomography to Evaluate Fever of Unknown Origin.
- Published in:
- Journal of Infectious Diseases, 1987, v. 156, n. 2, p. 408
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- Publication type:
- Article
Anti-Staphylococcal Activity of Teicoplanin, Vancomycin, and Other Antimicrobial Agents: The Significance of Methicillin Resistance.
- Published in:
- Journal of Infectious Diseases, 1986, v. 154, n. 2, p. 349, doi. 10.1093/infdis/154.2.349
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- Publication type:
- Article
Perturbing the O–H ... O Hydrogen Bond in 1-oxo-3-hydroxy-2-propene.
- Published in:
- Molecules, 2021, v. 26, n. 11, p. 3086, doi. 10.3390/molecules26113086
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- Publication type:
- Article
Unusual Complexes of P(CH)3 with FH, ClH, and ClF.
- Published in:
- Molecules, 2020, v. 25, n. 12, p. 2846, doi. 10.3390/molecules25122846
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- Publication type:
- Article
N...C and S...S Interactions in Complexes, Molecules, and Transition Structures HN(CH)SX:SCO, for X = F, Cl, NC, CCH, H, and CN.
- Published in:
- Molecules, 2019, v. 24, n. 18, p. 3232, doi. 10.3390/molecules24183232
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- Publication type:
- Article