X
Search Filters
Format Format
Format Format
X
Sort by Item Count (A-Z)
Filter by Count
Journal Article (2678) 2678
Book Chapter (23) 23
Conference Proceeding (23) 23
Dissertation (4) 4
Book Review (1) 1
Newspaper Article (1) 1
Publication (1) 1
more...
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry, physical (640) 640
physics, atomic, molecular & chemical (455) 455
chemistry (407) 407
cl atoms (403) 403
cl (402) 402
chemistry, multidisciplinary (325) 325
chemistry, inorganic & nuclear (313) 313
chlorine, cl (308) 308
kinetics (297) 297
rate constants (270) 270
structure (234) 234
atmospheric chemistry (203) 203
gas-phase reactions (191) 191
index medicus (182) 182
analysis (165) 165
crystal structure (164) 164
chlorine (156) 156
oh radicals (154) 154
environmental sciences (138) 138
radicals (134) 134
x = cl (134) 134
complexes (133) 133
crystal-structure (127) 127
crystallography (126) 126
br (110) 110
oxidation (110) 110
chlorine atoms (108) 108
spectroscopy (103) 103
ab-initio (102) 102
rate coefficients (102) 102
ligands (101) 101
mechanism (101) 101
physical chemistry (101) 101
inorganic chemistry (98) 98
chemistry, organic (94) 94
chemical properties (90) 90
cl-atoms (85) 85
biochemistry & molecular biology (83) 83
meteorology & atmospheric sciences (80) 80
catalysis (79) 79
organic chemistry (76) 76
hydrogen (75) 75
gas-phase (74) 74
materials science, multidisciplinary (74) 74
atoms (71) 71
series (71) 71
research (69) 69
temperature (68) 68
molecular-structure (67) 67
crystal-structures (66) 66
humans (64) 64
animals (61) 61
ozone (60) 60
reactivity (60) 60
density functional theory (57) 57
hydroxyl radicals (57) 57
organic-compounds (57) 57
physics, applied (56) 56
dynamics (55) 55
cl atom (54) 54
transition-state theory (53) 53
derivatives (52) 52
molecular structure (52) 52
physics, condensed matter (52) 52
spectra (52) 52
density-functional theory (51) 51
nitrogen, n (51) 51
copper (50) 50
gas-phase reaction (50) 50
global warming potentials (50) 50
ions (50) 50
products (49) 49
theoretical and computational chemistry (49) 49
chloride (48) 48
degradation (48) 48
models, molecular (48) 48
physics (48) 48
chemistry/food science, general (46) 46
photolysis (46) 46
characterization and evaluation of materials (45) 45
initiated oxidation (45) 45
ir and raman spectra (45) 45
palladium (45) 45
adsorption (43) 43
biophysics (43) 43
anions (42) 42
gaussian-basis sets (42) 42
hydrocarbons (42) 42
thermochemistry (42) 42
catalysts (41) 41
mass spectrometry (41) 41
halides (40) 40
mechanisms (40) 40
volatile organic-compounds (40) 40
water (40) 40
activation (39) 39
chlorides (39) 39
molecules (39) 39
reaction mechanism (39) 39
thermodynamics (39) 39
more...
Language Language
Language Language
X
Sort by Item Count (A-Z)
Filter by Count
English (2689) 2689
Chinese (42) 42
Japanese (36) 36
German (22) 22
French (8) 8
Russian (1) 1
Spanish (1) 1
more...
Publication Date Publication Date
Click on a bar to filter by decade
Slide to change publication date range


Journal of Chemical Physics, ISSN 0021-9606, 03/2006, Volume 124, Issue 12, pp. 124304 - 124304-7
... as theoreticians. Although, Pauling anticipated the possibility of formation of stable molecules involving rare gas atoms in 1933, his prediction became a reality in 1962... 
AR | X=F,CL,BR | MICROWAVE-SPECTRA | CHEMICAL-BONDS | AB-INITIO | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | NEUTRAL RARE-GAS | SOLID MATRICES | XENON | CHARGE-TRANSFER MOLECULES
Journal Article
Structural Chemistry, ISSN 1040-0400, 8/2013, Volume 24, Issue 4, pp. 1297 - 1306
.... A detailed statistical analysis showed that the shape of the halogen atom cannot be simply concluded on the basis of interatomic distances in crystal state although originally the concept... 
Theoretical and Computational Chemistry | Chemistry | DFT | Basis set | Physical Chemistry | Halogen bond | The shape of the atom | QTAIM | MP2 | Computer Applications in Chemistry | VAN | MOLECULAR CALCULATIONS | EFFECTIVE CORE POTENTIALS | CHEMISTRY, PHYSICAL | CL | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY | BOND | INTERMOLECULAR INTERACTIONS | Invisibility | Anisotropy | Specific gravity | Analysis | Quantum theory | Methods
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 1/2019, Volume 138, Issue 1, pp. 1 - 9
Journal Article
The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, ISSN 1089-5639, 06/2019, Volume 123, Issue 23, pp. 4964 - 4972
Rate constants of the reactions Cl + CH3OH → CH2OH + HCl (k 1) and Cl + CH3CHO → CH3C­(O) + HCl (k 3) were measured at 100 Torr over the temperature range... 
ATMOSPHERIC CHEMISTRY | PHOTOCHEMICAL DATA | HYDROXYL RADICALS | RATE COEFFICIENTS | METHANOL | CL ATOMS | GASEOUS N2O5 | KINETICS | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CH3C(O)O-2+HO2 REACTION
Journal Article
Journal of the Brazilian Chemical Society, ISSN 0103-5053, 11/2017, Volume 28, Issue 11, pp. 2267 - 2274
Journal Article
International Journal of Chemical Kinetics, ISSN 0538-8066, 08/2018, Volume 50, Issue 8, pp. 544 - 555
Journal Article
Organometallics, ISSN 0276-7333, 03/2015, Volume 34, Issue 5, pp. 1001 - 1004
An atom-economical, more environmentally friendly alternative method of synthesis of the versatile complex [TpRuCl­(COD)] (1) (Tp = hydrotris­(pyrazol-1-yl)­borate; COD = 1,5-cyclo­octadiene) has been developed... 
X=CL | REACTIVITY | CHEMISTRY, ORGANIC | VINYLIDENE | CRYSTAL | METAL-COMPLEXES | TRIS(PYRAZOLYL)BORATE COMPLEXES | CHLORIDE | HYDRIDE | CHEMISTRY, INORGANIC & NUCLEAR
Journal Article
E-journal of surface science and nanotechnology, ISSN 1348-0391, 2018, Volume 16, pp. 267 - 273
In this study, the effect of Cl-adsorption on the reduced rutile TiO2(110) surface during Au atom diffusion on the surface is investigated using density-functional theory-based calculations... 
DFT + U calculation | Au catalyst | Rutile TiO2 | Cl effect | Au atom diffusion | Diffusion rate | Adsorption | Catalysts | Mathematical analysis | Rutile | Diffusion barriers | Surface chemistry | Density functional theory | Catalytic activity | Catalysis | Diffusion | Titanium dioxide
Journal Article
International Reviews in Physical Chemistry, ISSN 0144-235X, 07/2004, Volume 23, Issue 3, pp. 435 - 482
Chlorine atoms react with a variety of organic molecules by abstraction of an H atom, making HCl and a radical co-product, and investigations of these reactions provide a large and valuable body... 
SATURATED-HYDROCARBONS | DIFFERENTIAL-CROSS-SECTIONS | QUANTUM SCATTERING CALCULATIONS | KINETIC-DATA EVALUATION | CL-ATOMS | PRODUCT ROTATIONAL ALIGNMENT | POTENTIAL-ENERGY SURFACE | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | TRANSITION-STATE REGION | HYDROGEN ABSTRACTION REACTIONS
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 03/2017, Volume 121, Issue 11, pp. 2486 - 2494
We present evidence for vibrational enhancement of the rate of bimolecular reactions of Br atoms with dimethylsulfoxide (DMSO) and methanol (CH3OH... 
HYDROGEN ABSTRACTION | CN RADICAL REACTIONS | CHLORINE ATOMS | COMPLEXES | MODE | BOND-SELECTED REACTION | CHEMISTRY | CHEMISTRY, PHYSICAL | REACTION DYNAMICS | CL PLUS | ACETONITRILE | Sulfur compounds | Chemical reactions | Usage | Chemical properties | Methanol
Journal Article
Atmospheric Chemistry and Physics, ISSN 1680-7316, 06/2008, Volume 8, Issue 12, pp. 3141 - 3147
Smog chamber/FTIR techniques were used to study the products and mechanisms of OH radical and Cl atom initiated oxidation of trans-CF3CH... 
CL ATOMS | KINETICS | OZONE | OH RADICALS | PHOTOLYSIS | SPECTRA | FATE | METEOROLOGY & ATMOSPHERIC SCIENCES | GAS-PHASE REACTIONS | X=1 | HC(O)F
Journal Article
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 09/2019, Volume 731, p. 136594
[Display omitted] •Kinetics for the reaction of EB with Cl atoms investigated.•Product analysis was carried out using GC-MS/IR techniques... 
GC-MS | Cl atoms | Cumulative atmospheric lifetime | Degradation mechanism | Ethyl butyrate | Relative rate method | GC-IR | UNSATURATED-HYDROCARBONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CHLORINE | ATMOSPHERIC OXIDATION MECHANISM | KINETICS | ESTERS | GAS-PHASE
Journal Article