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2 mode being that associated with the largest vibrational amplitude on the periphery of the molecule.
4 HIV-1 capsid, including its electrostatics, vibrational and acoustic properties, and the effects of
5 robes correlations between states within the vibrational and electronic manifold with quantum coheren
6 beam, but they differ in how they access the vibrational and electronic states and the frequency of t
9 tive probes of fundamental theories, but the vibrational and rotational degrees of freedom in molecul
10 work, we propose a model for nonequilibrium vibrational and rotational energy distributions in nitro
12 orm HD (v = 1, j = 1), where v and j are the vibrational and rotational quantum numbers, respectively
14 ained by Born-Oppenheimer enzyme hypothesis (vibrational) and also slower time scale events that are
15 2D-insulating material with unique physical, vibrational, and chemical properties for potential appli
16 is last development reflects the interest of vibrational approach as a candidate biophotonic label-fr
18 s shift of the peak frequencies and areas of vibrational bands across the LCST transition for PNIPAM
20 to use the powerful emission from rotational-vibrational bands of nitric oxide, hydroxyl and molecula
21 an automated curve fitting of most relevant vibrational bands to calculate a highly characteristic f
22 e observed for the two lowest-energy exciton-vibrational bands, enabling assignment of the respective
23 n; this value is in excellent agreement with vibrational beating observed in time-resolved spectrosco
29 l or extended coupled modes) are detected by vibrational circular dichroism and Raman optical activit
34 ity, maintaining substantially unaltered the vibrational contributions of the other cellular macromol
35 mation incorporating defect interactions and vibrational contributions, we suggest that the non-monot
36 e achieve the first example of such explicit vibrational control through judicious design of a Pt(II)
37 volution in the FSRS spectrum is assigned to vibrational cooling accompanied by partitioning of the d
38 arge class of systems that exhibit efficient vibrational cooling and therefore supports a new route t
39 y observed exception to this rule: efficient vibrational cooling of BaCl(+) by a laser-cooled Ca buff
42 f the even-membered macrocycles into exciton-vibrational coupled dimer pairs in aromatic solvents.
43 coupled oscillator picture that assumes the vibrational coupling is mediated by coherent phonons wit
44 the connection of rapid protein dynamics and vibrational coupling to enzymatic transition state passa
46 rallel helix associations were identified by vibrational couplings across helices at their interface.
51 articular, we have revealed the lifting of a vibrational degeneracy of a mode of PDI on Ag(111) and A
57 find that there is a dramatic change to the vibrational directionality with inhibitor binding to lys
60 rmed electrochemical operando studies of the vibrational dynamics of pentlandite under hydrogen evolu
61 cations to strong terahertz field-induced ro-vibrational dynamics of PH3 and NH3, and spontaneous emi
63 e decay is accompanied by coherently excited vibrational dynamics which survive the excited-state str
65 igated with two-dimensional infrared (2D IR) vibrational echo spectroscopy and polarization selective
67 e C identical withC and ferrocenyl ring =C-H vibrational energies with increasing particle core size
68 energy of the photon, which is converted to vibrational energy after electronic transitions could le
69 amolecular vibronic coupling before a slower vibrational energy dissipation to the solution environme
71 h inhibitor binding to lysozyme, whereas the vibrational energy distribution, as measured by neutron
72 g on approximately 1 nm particles results in vibrational energy migration among adsorbates that occur
73 tinum particle, within a few picoseconds the vibrational energy of a carbon monoxide adsorbate rapidl
74 With a large alkyl group substituent, the vibrational energy of the alkoxy radical is increased, b
75 tive theoretical study of the electronic and vibrational energy relaxation and redistribution in phot
76 designed for the first time, which harvests vibrational energy to self-power the electrochemical oxi
77 ocesses involving QDs, including electron-to-vibrational energy transfer and the use of the ligand sh
80 hat the tautomerization rate is increased by vibrational excitation via an inelastic electron tunneli
81 ectron transfer can be strongly modulated by vibrational excitation, suggesting a new avenue for acti
85 ctral features associated with a manifold of vibrational Feshbach resonances and bound states support
86 tates of the radical cation, and resolve the vibrational fine structure of the ground state band.
87 but chemically specific images over the full vibrational 'fingerprint' region, suitable for a large f
91 nd-state bands yield electron affinities and vibrational frequencies for several Franck-Condon active
92 supports assignments of the normal modes and vibrational frequencies for the monoboronic acid base of
95 rgy minimization based on total energies and vibrational frequencies obtained from density-functional
96 tions, we reveal linear correlations between vibrational frequencies of adsorbates on transition meta
97 to investigate the equilibrium structure and vibrational frequencies of extended cumulene monoketones
98 density difference iso-surface analyses and vibrational frequency assignments of the adsorbed As(OH)
99 cal feature of this method is electronic and vibrational frequency resolution, enabling isolation and
100 ory, which has been successful in predicting vibrational frequency shifts in bulk dielectric media.
103 nsport behaviour through manipulation of the vibrational landscape and orientational order of the sup
107 shifted IR absorption spectrum and a shorter vibrational lifetime of the asymmetric stretch mode comp
111 Based on the combination with microscopy, vibrational microspectroscopy is currently emerging as a
113 trate spectroscopic measurements of the soft vibrational mode driving this transition and a measureme
114 ectronic transitions in the dimer to match a vibrational mode of the lower-energy monomer are necessa
118 distribute and store mechanical energy among vibrational modes and coherently transfer it back to the
121 e results explain the observation of two N-O vibrational modes at 1737 and 1649 cm(-1) in CD3CN for [
123 but hitherto it has not been possible to map vibrational modes directly in a single nanostructure, li
124 considering the discrete phonon modes: these vibrational modes effectively weaken the exciton-environ
125 y between the distinct effects on graphene's vibrational modes exerted by graphene modification and b
127 ng of optical and acoustic, bulk and surface vibrational modes in magnesium oxide nanocubes using an
128 ulations further suggest that a softening of vibrational modes in the excited state is involved in ef
129 where the coupling between the electrons and vibrational modes is not fully taken into account, and t
131 influence the freedom of the catalytic site vibrational modes linked to heavy enzyme effects in PNP.
132 the spin state of the complexes based on the vibrational modes of a coordinated anion and compare rea
134 with experimental absorption spectra and the vibrational modes of calculated absorption spectra for t
135 igh-energy excitations are suppressed, while vibrational modes of energies <1 eV can be 'safely' inve
136 atomic structure, electronic properties, and vibrational modes of few-layered PdSe2 exfoliated from b
139 s a nonlinear technique that probes the same vibrational modes of molecules that are seen in spontane
143 e crystals is enabled by the thermal-excited vibrational modes of the cluster ions and the large chan
144 nsity functional theory calculations yielded vibrational modes of the diatomic ligands for conceivabl
145 In addition, we extract the frequency of the vibrational modes that are strongly coupled to the elect
146 the hysteresis is the localized metal-ligand vibrational modes that are unique to dysprosocenium.
149 ting the excitation of both bulk and surface vibrational modes using a single probe, our work represe
151 nical resonator with two nonlinearly coupled vibrational modes with strongly differing frequencies an
152 active peaks of TiS3 have only out-of-plane vibrational modes, and interestingly some of these vibra
153 hese peaks to molecular surface and interior vibrational modes, respectively, and show that the inter
154 S to determine the DRSCs of multiple glucose vibrational modes, we demonstrate the applicability of b
166 s with reagent excitation by way of selected vibrational normal modes resulted in either Direct or De
167 ere is growing interest in using the nitrile vibrational oscillation as a site-specific probe of loca
170 ransitions to resonant optical modes creates vibrational polaritons shifted from the uncoupled molecu
171 This Review summarizes recent research on vibrational predissociation (VP) of hydrogen-bonded clus
174 d cytochrome c, where the transparent window vibrational probes have already been used to elucidate i
175 future potential of using transparent window vibrational probes to understand the evolution and funct
176 te (SCN), and azide (N3) "transparent window vibrational probes" that absorb within this window and r
177 aknesses of the different transparent window vibrational probes, methods by which they may be site-sp
178 lective labeling with carbon-deuterium (C-D) vibrational probes, we characterized the localized chang
181 , and may have relevance to understanding of vibrational properties in other anisotropic two-dimensio
184 n-molecule reactions, such as the effects of vibrational quantum states, the formation of carbon-carb
186 nvestigated, allowing the elucidation of the vibrational Raman fingerprint of through-space charge de
189 The competing process of intramolecular vibrational redistribution (IVR) in p-benzyne is too slo
191 reactions in studied systems, competing with vibrational relaxation and radiative or nonradiative pro
192 and time-resolved PL measurements show that vibrational relaxation occurs on a picosecond timescale
193 molecules inside living cells with very high vibrational selectivity and sensitivity (down to 250 nan
196 wide variety of applications: from transient vibrational signature tracking to amplifying weak normal
197 onization state is determined by probing the vibrational signatures of the carboxylic acid group, rep
198 olving their characteristic C-H, N-H and C=O vibrational signatures with no observable radiation dama
201 of the water hexamer through the analysis of vibrational spectra and appropriate structural order par
202 rotein-ligand recognition using the observed vibrational spectra and provide perspective on binding s
205 luence of intermolecular interactions on the vibrational spectra of a N-N'-bis(2,6-diisopropylphenyl)
206 der can use this information while assigning vibrational spectra of an ionic liquid containing anothe
207 y of information is now available concerning vibrational spectra of ionic liquids made of many differ
208 frameworks which have been used to interpret vibrational spectra of ionic liquids, helping the reader
213 eport a first assessment of the composition, vibrational spectra, and structure of gortatowskite.
214 pidly measure 3D concentration maps based on vibrational spectra, label-free; however, when using any
218 probe technique that is capable of providing vibrational spectroscopic information on single nanoobje
219 is review, we give examples of the wealth of vibrational spectroscopic information that can be obtain
220 perturbation theory (DFPT) calculations and vibrational spectroscopic measurements, we here show tha
221 xygenated [NiFe] complex as a structural and vibrational spectroscopic model for the oxygen-inhibited
222 investigation combining local soft X-ray and vibrational spectroscopic probes with ab initio molecula
228 We employed in situ sum frequency generation vibrational spectroscopy (SFG-VS) with interface sensiti
229 Internal Reflection Sum Frequency Generation Vibrational Spectroscopy (TIR-SFG-VS) combined with conv
230 again demonstrates the power to combine SFG vibrational spectroscopy and MD simulation in studying i
231 al-time using sum frequency generation (SFG) vibrational spectroscopy and molecular dynamics (MD) sim
232 Here we combine ultrafast two-dimensional vibrational spectroscopy and molecular dynamics simulati
234 e advantages and limitations of conventional vibrational spectroscopy and then discusses the strength
236 ic principles of the different methods of 2D vibrational spectroscopy at surfaces along with a balanc
238 and the detailed molecular information from vibrational spectroscopy for individual particles <500 n
239 ponsible for the different extractabilities, vibrational spectroscopy has been applied to the non-ext
241 dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed ins
243 m within silica sheets by interface-specific vibrational spectroscopy in combination with molecular d
244 IR and Raman spectra and the applications of vibrational spectroscopy in studying phase transitions o
249 ce on the single cell level, suggesting that vibrational spectroscopy may be suitable for identifying
251 spectroscopy (VSFSS) is used to measure the vibrational spectroscopy of these AOT stabilized regular
254 sent high-resolution microscopy and advanced vibrational spectroscopy studies that indicate that the
255 nd stimulated Raman spectroscopy (FSRS) is a vibrational spectroscopy technique that has been used in
256 s, (ii) X-ray spectroscopy techniques, (iii) vibrational spectroscopy techniques and (iv) chemisorpti
257 defined system amenable to EPR, optical and vibrational spectroscopy, and fluorescence resonance ene
260 ingle-crystal X-ray structure determination, vibrational spectroscopy, NMR and EPR spectroscopies, el
261 erived powders and thin films using infrared vibrational spectroscopy, X-ray diffraction, and pair di
266 they can be uniquely distinguished by their vibrational spectrum between approximately 3200 and 3700
267 these features cause the simulation-derived vibrational spectrum to red shift in a manner that repro
272 e presence of an agonist with an appropriate vibrational state to accept the inelastic portion of the
273 al properties to engineer their bond length, vibrational state, angular momentum and orientation in a
275 VA potentials associated with the excited OH vibrational states are shifted away from the symmetrical
278 , like Apis mellifera, A. cerana possesses a vibrational "stop signal," which can be triggered by pre
279 hotodetachment provide a direct probe of the vibrational structure and metastable resonances that are
280 use micro-Raman spectroscopy to measure the vibrational structure of the atomically precise cadmium
281 V, realized through the consideration of the vibrational structure of the electronic transitions of a
283 ng the interpretation of second harmonic and vibrational sum frequency generation responses from char
285 and charged lipids in aqueous solution using vibrational sum frequency scattering and second harmonic
287 uorescent spectroscopy of lipid vesicles and vibrational sum frequency spectroscopy of lipid monolaye
291 tant recent technological developments of 2D vibrational surface spectroscopy, which employ (i) surfa
292 uss the current scope of applications for 2D vibrational surface spectroscopy, which spans an impress
294 cal behaviour shows great sensitivity to the vibrational temperature, highlighting a crucial controll
299 sional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and elec
300 of nitrogen molecules, our analysis reveals vibrational wave-packets consisting of components with p
301 +) resides in the center of the crown in the vibrational zero-point level, while the minima in the VA
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