X
Search Filters
Format Format
Subjects Subjects
Subjects Subjects
X
Sort by Item Count (A-Z)
Filter by Count
chemistry, physical (121) 121
physics, atomic, molecular & chemical (94) 94
spectroscopy (63) 63
ch stretching modes (47) 47
chemistry (47) 47
spectra (47) 47
chemistry, multidisciplinary (40) 40
dynamics (40) 40
ch (36) 36
ch stretching vibrations (34) 34
ch chromophore (32) 32
physical chemistry (32) 32
analysis (29) 29
hydrogen bonding (27) 27
molecules (27) 27
materials science, multidisciplinary (25) 25
methane (25) 25
vibrational spectroscopy (25) 25
catalysis (22) 22
ionic liquids (22) 22
raman spectroscopy (22) 22
ab-initio (21) 21
index medicus (21) 21
spectrum analysis (21) 21
infrared spectroscopy (20) 20
polyatomic-molecules (20) 20
inorganic chemistry (19) 19
chemical properties (18) 18
hydrogen-bonds (18) 18
local modes (18) 18
benzene (17) 17
chemistry, inorganic & nuclear (17) 17
vibration (17) 17
water (17) 17
anions (16) 16
nanoscience & nanotechnology (16) 16
research (15) 15
usage (15) 15
cations (14) 14
complexes (14) 14
molecular structure (14) 14
potential-energy surface (14) 14
sum-frequency generation (14) 14
surface (14) 14
hydrogen bonds (13) 13
organic chemistry (13) 13
physics, condensed matter (13) 13
solvents (13) 13
spectrum (13) 13
air-water-interface (12) 12
anion (12) 12
carbon-dioxide (12) 12
catalysts (12) 12
chemical bonds (12) 12
fermi resonance structure (12) 12
force-field (12) 12
gas-phase (12) 12
hydrogen (12) 12
ionische flüssigkeit (12) 12
physics (12) 12
vibrational spectra (12) 12
adsorption (11) 11
biochemistry & molecular biology (11) 11
density (11) 11
derivatives (11) 11
fermi resonance (11) 11
intensities (11) 11
models, molecular (11) 11
overtone spectra (11) 11
physics, applied (11) 11
quantum dynamics (11) 11
ch/pi interaction (10) 10
chemical sciences (10) 10
infrared-spectra (10) 10
infrared-spectroscopy (10) 10
ionic-liquid (10) 10
kation (10) 10
quantum theory (10) 10
raman-spectroscopy (10) 10
theoretical and computational chemistry (10) 10
2 (9) 9
carbon dioxide (9) 9
cd overtones (9) 9
ch stretching frequencies (9) 9
chemical synthesis (9) 9
clusters (9) 9
internal-rotation (9) 9
ions (9) 9
mathematical analysis (9) 9
models, chemical (9) 9
molecular-orientation (9) 9
molecular-structure (9) 9
orientation (9) 9
polymer science (9) 9
separation (9) 9
temperature (9) 9
) (8) 8
2nd-harmonic generation (8) 8
ab initio calculations (8) 8
ch stretch (8) 8
more...
Language Language
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, 08/2012, Volume 137, Issue 8, p. 084114
Information on the electronic structure of a molecule and its chemical bonds is encoded in the molecular normal vibrational modes. However, normal vibrational... 
MATRIX | COMPLIANCE CONSTANTS | FORCE | SIGNATURES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | BOND LENGTHS | CHEMISTRY, PHYSICAL | CH STRETCHING FREQUENCIES | DISSOCIATION-ENERGIES | SPECTRA | STRENGTHS | N-ALKANES | Coupling (molecular) | Adiabatic flow | Electronic structure | Quantum chemistry | Constants | Bonding | Joints | INT
Journal Article
Journal of Molecular Spectroscopy, ISSN 0022-2852, 11/2013, Volume 293-294, pp. 38 - 59
•CH stretching vibrations do not change phase after a 2π internal rotation.•Cusps in normal modes along the torsional path fit a 2-state 3-parameter... 
Internal rotation | Vibrational displacement vectors | Minimum energy path (MEP) | Projected frequency calculations | CH stretching vibrations | L matrices | Methanol | STATES | MOLECULE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | INVERTED TORSIONAL STRUCTURE | PHASE | SPECTROSCOPY | DYNAMICS | SPECTRA | Vibration
Journal Article
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, ISSN 1386-1425, 05/2016, Volume 161, pp. 70 - 76
The effect of adding electron donating and withdrawing groups on the dihydroazulene (DHA)/vinylheptafulvene (VHF) photochromic system has been investigated... 
Solution and solid phase | CN-stretching vibration | Raman spectroscopy | Photoswitch | LOCAL MODES | ENERGY | MOLECULES | GOLD SURFACES | SWITCHES | SPECTROSCOPY | AZOBENZENE | CH-stretching vibration | SPECTRA | PROBE | PHOTOCHROMIC REACTION | Usage | Spectrum analysis
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 08/2016, Volume 120, Issue 33, pp. 6521 - 6528
The F + CHD3 → HF/DF + CD3/CHD2 reaction is studied using a state-to-state quasi-classical trajectory method on a recently developed ab initio based... 
CONTROLLING BIMOLECULAR REACTIONS | QUANTUM DYNAMICS | BOND SELECTED REACTION | F+CD4 REACTION | POTENTIAL-ENERGY SURFACE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | PRODUCT PAIRS | CH STRETCHING EXCITATION | REACTION DYNAMICS | SELECTIVITY | BEND-EXCITATION
Journal Article
Chinese Journal of Chemical Physics, ISSN 1674-0068, 12/2012, Volume 25, Issue 6, pp. 649 - 653
Journal Article
Annual Review of Physical Chemistry, ISSN 0066-426X, 4/2015, Volume 66, Issue 1, pp. 189 - 216
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 09/2011, Volume 115, Issue 37, pp. 18284 - 18294
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 2006, Volume 124, Issue 11, p. 114705
Here we report a detailed study on spectroscopy, structure, and orientational distribution, as well as orientational motion, of water molecules at the... 
ACID-WATER MIXTURES | MOLECULAR-DYNAMICS | HYDROGEN-BOND DYNAMICS | 2ND HARMONIC-GENERATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | 2ND-HARMONIC GENERATION | CHEMISTRY, PHYSICAL | LIQUID-VAPOR INTERFACE | X-RAY REFLECTIVITY | CH STRETCHING MODES | DENSITY-FUNCTIONAL THEORY | SURFACE-ADSORPTION LAYERS
Journal Article
Soft Matter, ISSN 1744-683X, 4/2013, Volume 9, Issue 19, pp. 4738 - 4761
Journal Article
The Journal of Physical Chemistry C, ISSN 1932-7447, 08/2009, Volume 113, Issue 34, pp. 15364 - 15372
Journal Article
Biophysical Journal, ISSN 0006-3495, 05/2017, Volume 112, Issue 10, pp. 2173 - 2183
The interactions between Ca2+ ions and sphingomyelin play crucial roles in a wide range of cellular activities. However, little is known about the molecular... 
SURFACE NONLINEAR OPTICS | AIR/WATER INTERFACE | AIR-WATER-INTERFACE | BIOPHYSICS | PHOSPHOLIPID MONOLAYERS | 2ND-HARMONIC GENERATION | CH STRETCHING MODES | SFG-VS | INFRARED-SPECTROSCOPY | DPPC MONOLAYERS | CHOLESTEROL MONOLAYERS | Membranes
Journal Article