X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (977) 977
Book Chapter (77) 77
Publication (12) 12
Dissertation (5) 5
Conference Proceeding (4) 4
Government Document (3) 3
Paper (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
science & technology (699) 699
physical sciences (634) 634
chemistry (590) 590
bond dissociation energy (532) 532
chemistry, physical (286) 286
density functional theory (261) 261
chemistry, multidisciplinary (226) 226
technology (166) 166
bond dissociation energies (141) 141
analysis (128) 128
life sciences & biomedicine (128) 128
physics (119) 119
heat of formation (109) 109
bond dissociation enthalpy (107) 107
spaltungsenergie (101) 101
bond-dissociation-energy (96) 96
physics, atomic, molecular & chemical (96) 96
thermodynamics (95) 95
bonds (84) 84
biochemistry & molecular biology (78) 78
dft (78) 78
physical chemistry (74) 74
theoretical and computational chemistry (71) 71
free energy (64) 64
computer applications in chemistry (63) 63
hydrogen (63) 63
organic chemistry (63) 63
antioxidants (60) 60
chemical properties (58) 58
engineering (57) 57
inorganic chemistry (54) 54
chemistry, organic (53) 53
density functionals (53) 53
dissociation (49) 49
bonding (48) 48
computer science (47) 47
computer science, interdisciplinary applications (47) 47
dissoziation (47) 47
mathematical analysis (47) 47
spectroscopy (47) 47
biophysics (46) 46
molecular structure (46) 46
energy of dissociation (44) 44
engineering, chemical (43) 43
heats of formation (43) 43
computer appl. in life sciences (42) 42
molecular medicine (42) 42
chemical bonds (41) 41
enthalpy (41) 41
radicals (41) 41
chemistry, inorganic & nuclear (40) 40
ionization (39) 39
ionization potential (39) 39
characterization and evaluation of materials (38) 38
chemistry/food science, general (38) 38
antioxidant (37) 37
detonation properties (36) 36
oxidation (36) 36
dissociation energy (35) 35
bond dissociation enthalpies (34) 34
pyrolysis (32) 32
crystallography (30) 30
electrons (30) 30
activation energy (28) 28
phenols (28) 28
bond dissociation (27) 27
chemistry, analytical (27) 27
catalysis (26) 26
substituent effect (26) 26
density functional calculations (25) 25
hydrogen bonding (25) 25
thermochemistry (25) 25
chemistry, applied (24) 24
collision-induced dissociation (24) 24
mathematics (24) 24
models, chemical (24) 24
materials science (23) 23
mathematics, interdisciplinary applications (23) 23
models, molecular (23) 23
quantum science & technology (23) 23
reactivity (23) 23
ab initio (22) 22
antioxidants - chemistry (22) 22
density (22) 22
density-functional-theory (22) 22
energy & fuels (22) 22
dichtefunktionaltheorie (21) 21
oxidation-reaction (21) 21
quantum theory (21) 21
analytical chemistry (20) 20
kinetics (20) 20
mass spectrometry (20) 20
methods (20) 20
substituent effects (20) 20
oxygen (19) 19
thermal stability (19) 19
wasserstoff (19) 19
chemisches reaktionsvermögen (18) 18
enthalpy of formation (18) 18
free radicals (18) 18
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (1064) 1064
Chinese (32) 32
Japanese (11) 11
German (8) 8
French (6) 6
Polish (3) 3
Czech (1) 1
Portuguese (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Macromolecules, ISSN 0024-9297, 04/2019, Volume 52, Issue 7, pp. 2772 - 2777
...–Thomas model of tear energy in rubbery crack propagation. Incorporating data reported from single-molecule force spectroscopy experiments provides an estimate for the stored energy per bond at fracture of ∼60 kJ mol... 
Polymer Science | Physical Sciences | Science & Technology
Journal Article
Journal of computational chemistry, ISSN 0192-8651, 01/2019, Volume 40, Issue 1, pp. 82 - 88
...H bond dissociation energies (BDEs) of a small peptide (2ONW) and compare these with values obtained for its component individual amino acid residues... 
bond dissociation energy | peptides | conformation | ONIOM | Physical Sciences | Chemistry | Chemistry, Multidisciplinary | Science & Technology | Peptides | Analysis | Investigations | Index Medicus
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2018, Volume 20, Issue 44, pp. 28249 - 28256
... the NO–H bond dissociation energies of their precursors. The mechanism of -oxyl radical catalyzed oxidation is a long-standing scientific problem... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Kinetics and catalysis, ISSN 0023-1584, 11/2016, Volume 57, Issue 6, pp. 723 - 730
The O−H bond dissociation energy (D O−H) has been estimated for 20 substituted 3-pyridinols and a substituted 3-pyrimidinol from experimental kinetic data by the intersecting parabolas method using α... 
Chemistry | 3-pyridinols | bond dissociation energies | Physical Chemistry | intersecting parabolas model | activation energies | radical stabilization energies | rate constants | Catalysis | Physical Sciences | Chemistry, Physical | Science & Technology | Tocopherols | Activation energy | Bonds | Analysis
Journal Article
Journal of the American Society for Mass Spectrometry, ISSN 1879-1123, 11/2018, Volume 30, Issue 3, pp. 476 - 481
Journal Article
Kinetics and catalysis, ISSN 0023-1584, 1/2017, Volume 58, Issue 1, pp. 15 - 23
The O−H bond dissociation energy (D O−H) has been determined for eight alkylseleno-substituted phenols, one alkyltelluro-substituted phenol, and one alkyltelluro-substituted pyridinol. D O... 
intersecting-parabolas model | Chemistry | bond dissociation energies | Physical Chemistry | alkyl-Te-substituted phenols | activation energies | radical stabilization energies | alkyl-Te-substituted pyridinols | rate constants | Catalysis | alkyl-Se-substituted phenols | Physical Sciences | Chemistry, Physical | Science & Technology | Tocopherols | Phenols | Activation energy | Analysis | Bonds | Resveratrol
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 09/2017, Volume 19, Issue 33, pp. 22309 - 22320
The relationship between the homolytic O-H bond dissociation enthalpies (BDEs) and the structures of N-oxyl radical precursors (i.e. hydroxylamines and oximes)... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Structural chemistry, ISSN 1572-9001, 08/2018, Volume 30, Issue 1, pp. 53 - 60
The MP2 and CCSD calculations of the geometries and binding energies of the Li+·(N2) n (n = 1–4) complexes are obtained... 
CCSD method | Lithium ion complexes | Theoretical and Computational Chemistry | Chemistry | Bond dissociation energy | Non-covalent interaction | Physical Chemistry | Computer Applications in Chemistry | N 2 molecule | molecule
Journal Article
Kinetics and catalysis, ISSN 0023-1584, 3/2016, Volume 57, Issue 2, pp. 159 - 169
The dissociation energy of the O–H bond has been calculated by the homodesmotic reaction method for phenolic compounds, which are well-known antioxidants, including for natural phenols... 
bond dissociation energy | phenols | Chemistry | Physical Chemistry | antioxidants | homodesmotic reaction | Catalysis | Physical Sciences | Chemistry, Physical | Science & Technology | Tocopherols | Phenols | Chemical properties | Bonds | Methods | Isoflavones
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2014, Volume 16, Issue 18, pp. 8686 - 8696
...)-RAD calculations are used to predict 264 R–H, R–CH 3 , R–Cl and R–R bond dissociation energies for a wide-ranging test set of carbon and non-carbon centred R˙ radicals... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Models, Molecular | Gases - chemistry | Thermodynamics | Free Radicals - chemistry | Carbon - chemistry | Index Medicus | Stabilization | Resonance interactions | Mathematical analysis | Dissociation energy | Bonding | Heat of formation | Free energy | Radicals
Journal Article
Journal of the American Chemical Society, ISSN 0002-7863, 09/2011, Volume 133, Issue 37, pp. 14604 - 14613
The free energies interconnecting nine tungsten complexes have been determined from chemical equilibria and electrochemical data in MeCN solution (T = 22 °C). Homolytic W... 
OXIDATION | metal hydride | bond dissociation energy | ELECTRONS | HYDRIDES | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | BONDING | TUNGSTEN COMPLEXES | CATIONS | DISSOCIATION | CARBENES | PHOSPHINES | BINDING ENERGY | RADICALS | VALENCE | FREE ENERGY
Journal Article
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 03/2017, Volume 121, Issue 9, pp. 1993 - 2000
The homolytic bond dissociation energies of a series of five- and six-coordinate mono- and dihydride complexes of the type HM­(diphosphine)2 and [H2M­(diphosphine)2]+ (where M = Co, Rh, and Ir... 
Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology | Chemical bonds | Transition metals | Usage | Dissociation | Analysis | Electric properties | Mathematical models | Iridium | Trends | Bond energy | Dissociation energy | Heat of formation | Free energy | metal hydrides | diphosphine ligand bite-angle | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY | homolytic bond dissociation
Journal Article
Chemistry : a European journal, ISSN 0947-6539, 03/2016, Volume 22, Issue 12, pp. 4116 - 4128
... % of the molecule's bond dissociation energy, and for its bond lengths and its force constant. The quadruply‐bonded structure is made of two strong... 
bond dissociation energy | valence bonds | force constants | quadruple bonds | bonding | bond order | Analysis | Chemical properties | Acetylene | Bond strength | Collapse | Molecular structure | Carbon | Free energy | Energy | Bonding strength | Chemical bonds | Mathematical models | Energy of dissociation | Heat of formation | Bonding | Strength
Journal Article