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SHORT CONTRIBUTIONS: TITLES AND AUTHORS3A978-94-009-0281-7%2F1.pdf · Ab initio calculations...

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SHORT CONTRIBUTIONS: TITLES AND AUTHORS ABAD, LAURA; BERMEJO, D.; DIEZ-ROJO, T.; HERRERO, V.l; TANARRO, I.: SRS Temperature Measurements in Pulsed Supersonic Free Jets of Pure Gas and Mixtures. BAUDER, ALFRED: Large Amplitude Motions in Molecular Complexes. BERBERAN E SANTOS, MARIo; CANCEILL, l; GRATTON, E.; JULLIEN, L.; LEHN, l-M.; VALEUR, B.: Inhomogeneus Spectral Broadening and Dynamics of Electronic Excitation Energy Hopping in Heptachromophoric Cyclodextrins. CAREY, PAUL: Experimental Considerations for Low Temperature Spectroscopy of Macromolecules. CAMINATI, WALTER; FAVERO, L.B.; FAVERO, P.G.; MELANDRI, S.: Investigation of Complex Rotational Spectra by Millimeterwave Free Jet Absorption Spectroscopy. CHAMPION, PAUL: Fentosecond Oscillations of Biomolecules as a Function of Temperature. CHAMPION, PAUL: Time Co"elator and Transform Approach to Absorption Spectroscopy and Resonance Raman Scatering (I): Temperature Dependence of the Absorption Lineshape. CHAMPION, PAUL: Time Co"elator and Transform Approach to Absorption Spectroscopy and Resonance Raman Scatering (II): Temperature Dependence of the Resonance Raman Cross-Section. CIllAVASSA, TIERRY; PIETR!, N.; ALLOUCHE, A; AYCARD, lP.: Formation and Characterization of the Molecular Complexes .. HCI). DEBSKA, BARBARA: Scannet - A Spectroscopic Multimethod System. DOWNS, ANTHONY: Multi-component Matrix Samples: Detective Work Through Vibrational Spectroscopy. DURIG, JIM: Ab Initio Calculations for the Prediction of Vibrational Spectra EREMENKO, ANNA; LUXUTOVA, 0.1.; OGENKO, V.M.; CHUIKO, AA: Low- Temperature Laser Spectroscopy Study of Adsorbed Molecules and Intermolecular Complexes. HOLLAS, JOHN: Symmetry in Non-Rigid Molecules. 595
Transcript

SHORT CONTRIBUTIONS: TITLES AND AUTHORS

ABAD, LAURA; BERMEJO, D.; DIEZ-ROJO, T.; HERRERO, V.l; TANARRO, I.: SRS Temperature Measurements in Pulsed Supersonic Free Jets of Pure Gas and Mixtures.

BAUDER, ALFRED: Large Amplitude Motions in Molecular Complexes.

BERBERAN E SANTOS, MARIo; CANCEILL, l; GRATTON, E.; JULLIEN, L.; LEHN, l-M.; VALEUR, B.: Inhomogeneus Spectral Broadening and Dynamics of Electronic Excitation Energy Hopping in Heptachromophoric Cyclodextrins.

CAREY, PAUL: Experimental Considerations for Low Temperature Spectroscopy of Macromolecules.

CAMINATI, WALTER; FAVERO, L.B.; FAVERO, P.G.; MELANDRI, S.: Investigation of Complex Rotational Spectra by Millimeterwave Free Jet Absorption Spectroscopy.

CHAMPION, PAUL: Fentosecond Oscillations of Biomolecules as a Function of Temperature.

CHAMPION, PAUL: Time Co"elator and Transform Approach to Absorption Spectroscopy and Resonance Raman Scatering (I): Temperature Dependence of the Absorption Lineshape.

CHAMPION, PAUL: Time Co"elator and Transform Approach to Absorption Spectroscopy and Resonance Raman Scatering (II): Temperature Dependence of the Resonance Raman Cross-Section.

CIllAVASSA, TIERRY; PIETR!, N.; ALLOUCHE, A; AYCARD, lP.: Formation and Characterization of the Molecular Complexes (C~h .. HCI).

DEBSKA, BARBARA: Scannet - A Spectroscopic Multimethod System.

DOWNS, ANTHONY: Multi-component Matrix Samples: Detective Work Through Vibrational Spectroscopy.

DURIG, JIM: Ab Initio Calculations for the Prediction of Vibrational Spectra

EREMENKO, ANNA; LUXUTOVA, 0.1.; OGENKO, V.M.; CHUIKO, AA: Low­Temperature Laser Spectroscopy Study of Adsorbed Molecules and Intermolecular Complexes.

HOLLAS, JOHN: Symmetry in Non-Rigid Molecules.

595

596

HOWARD, BRIAN: Overcoming the Difficulties of Interpreting Low Temperature Spectra of Weakly Bound Species (e.g. Hydrogen Bonded Dimers).

HOWARD, BRIAN: High Resolution Microwave and Infrared Spectroscopy in Supersonic Jets ..

HOWARD, BRIAN: The Spectroscopy of Van der Waals Molecules and the Determination of Intermolecular Interactions.

JOST, REMY: Analysis of Jet Cooled LIF and Absorption Spectra.

KLAEBOE, PETER: Matrix Isolation Studies on Conformational Equilibria with the Hot Nozzle Technique.

KLOTZBUCHER, WERNER; CROCOCK, B.E.; SMETS, J.; WALSH, M.M.: Photo­chemical Studies on Lanthanide Atoms in Inert and Reactive Matrices: Praseodymium and Dysprosium.

KOENIG, LUTZ; SCHULZE, W.; FROBEN, F.W.; RITZ, M.: Preparation and Investigation of Ag-CO "Aggregates".

KOENIG, LUTZ; RABIN, I.; SCHULZE, W.: Luminescence of Small Metal Clusters.

KULBIDA, ANATOLY: Interaction of Guest Acid Molecules with Amine Matrices.

KVARAN, AGUST; WANG, H.; JOHANNES SON, G.H.: REMPI Spectra of Halogens and Interhalogen; Effect of Jet Cooling.

LAMENT, BOZENA: Electronic Spectroscopy of Isomeric and Tautomeric Species Reliable to Porphyrins.

LOPES, ANT6NIo: Prototropic Behaviour of Carbendazim in the Ground and Excited States: A Quantum Chemical and Experimental Study.

LUKYASHKO, ALECSEY; BROWN, J.M.; STELMAKH, O.M.: Low Temperature Electronic Spectra of Rear-Earth Elementes Halides Diatomic Molecules Formed in Supersonic Jets.

MASCETTI, JOELLE; GALAN, F.; FOUASSIER, M.; TRANQUILLE, M.: Infrared and UV-Visible Spectroscopic Studies of Matrix Isolated Nickel Atoms: Reactivity Towards Ethylene and Carbon Dioxide.

597

MATE, BELEN; TEJEDA, G.; FERNANDEZ, lM.; MONTERO, S.: Raman Mapping of C02 Supersonic Expansions.

MONTERO, SAL V AOOR: Raman Spectroscopy in Supersonic Jets: State of the Art.

MOSKOVITS, MARTIN: Low Temperature Techniques for Matrix Isolation.

MOSKOVITS, MARTIN: Spectroscopy of Metal and Semiconductor Clusters: From Matrices to Beams.

MOSKOVITS, MARTIN: Low Temperature and Variable Temperature Scanning Tunelling Microscopy.

OGRETIR, CEMIL; GUVEN, A: Investigation of the Structure and the Properties of Potentially Tautomeric 5,6,7-threemethyl-l-oxopyrrolo (3,4-d) Pyrazines with the AMI and PM31COSMO Solvation Model.

PERUTZ, ROBIN: Case Histories of Intermediates in Transition Metal Photochemistry.

PRATT, DAVID: Single Molecule Spectroscopy.

PRESUNKA, PAUL; SIMARD, B.; BOURNE, 0.; CAMPBELL, M.; LEBEAULT­OORGET, M.A: Resonant Two-Photon Ionization (R2PI) Investigations of the Cu-Group 13 Diatomics.

REDINGTON, RICHARD: Experimental Simplification: Search for the Low Road.

REVA, IGOR; STEPANIAN, S.: Study on Associative Ability of Carboxylic Acids by Matrix Isolation Infrared Spectroscopy.

ROSAOO, MARIo; DUARTE, M.L.T.S.; FAUSTO, R; REVA, I.; IVANOV, AY.: Glycine Trapped in Inert Gas Matrices.

SCHRADER, BERNHARD: Assigning Vibrational Spectra of Molecular Crystals and Interpreting Phase Transitions by Molecular, Site and Factor Group Analysis.

SIMARD, BENOIT; PRESUNKA, P.: Experimental and Theoretical Determination of Bond Strengths and Ionization Potentials in Cu-Group 13 Diatomics.

SMETS, JOHAN; ADAMOWICZ, L.; MAES, G.: A Matrix-Isolation FT-IR and Ab Initio Study oflhe H-Bonding Properties of Molecules Modelling Cylosines.

598

STOYANOV, STEFAN; STOYANOVA, T.; NIKOLOV, P.; AKRIVOS, P.; KARAGIANNIDIS, P.: Room and Low Temperature (77 K) Emission of Some Potentially Tautomeric Thiones and their Cu(1) Complexes.

S1RA1BL, MAREK; FLORIAN, J.; STEPANEK, J.; BAUMMUK, Y.; BEDNAROVA, L.: Ab Initio Calculations of Vibrational Spectra of Dimethylphosphate and Dimethylphosphonate.

TEJEDA, GUZMAN; MATE, B.; FERNANDEZ, J.M.; MONTERO, S.: Low Temperature Raman Spectra in the Gas Phase.

VAN DER VEKEN, BENJAMIN: Band Profile Analysis in the determination of Thermodynamic Parameters of Conformational Equilibria.

VOLOVSEK, VESNA; KIRIN, D.: Phase Transitions in Halogenated Benzophenones.

YURTSEVEN, HAMMIT: Acoustic Mode Gruneisen Parameters and the Frequency Shifts Near the A-Phase Transition in NH4C/.

ZAKHARIEV A, OLGA; FOERSTER, H.: Normal Coordinate AnalysiS of Deutero Ethylenes in the Free and Zeolite-Adsorbed State.

AUmORINDEX

Abad,L. Adamowicz, L. Akrivos, P. Allouche, A Aycard, I.P. Bauder, A Baumruk, Y. Bednarova, L. Berberan-Santos, M.N. Bermejo, D. Bourne, O. Brown, I.M. Brown, W.A Caminati, W. Canceill, I. Campbell, M. Carey, P.R Champion, P.M. Chiavassa, T. Chuiko, AA Crocock, B.E. Debska, B. Oiez-Rojo, T. Downs, AI. Duarte, M.L.T.S. Durig, D.T. Durig, I.R Eremenko, AM. Fausto, R Favero, L.B. Favero, P.G. Fernandez, I.M. Florian, J Foerster, H. Fouassier, M. Froben, F. W. Galan, F. Gardner, P. George, W.O. Gratton, E. Guven, A Herrero, V.I. Hollas, I.M. Howard, B.I. Ivanov, AY.

595 147,597

598 595 595

271, 291, 595 598 598 595 595 597 596 569 595 595 597

551,595 595 595 595 596 595 595

1,45,595 597

477,505 477,505,595

595 125,597

595 595

597,598 598 598 596 596 596 569 193 595 597 595

311,595 596 597

599

Johannesson, G.H. Jost, R Jullien, L. Karagiannidis, P. Kirin, D. Klaeboe, P. Klotzbucher, W.E. Koenig, L. Kulbida, A Kvaran, A Lament, B. Lebeault-Dorget., M.A. Lehn, I.-M. Lopes, A Lukyashko, AP. Luxutova, 0.1. Maes, G.H. Mascetti, I. Mate, B. Melandri, S. Montero, S. Moskovits, M. Nikolov, P. Ogenko, Y.M. Ogretir, C. Perutz, RN. Pietri, N. Pratt, D.W. Presunka, P. Rabin, I. Redington, RL. Reva,I. Ritz, M. Rosado, M. T. SalamaF. Schrader,B. Schulze, W. Simard, B. Smets, I. Stelmakh, O.M. Stepanek, I. Stepanian, S. Stoyanov, S. Stoyanova, T. Strajbl, M.

596 249,596

595 598 598

529,596 596 596 596 596 596 597 595 596 596 595

147,597 596

597,598 595

597,598 597 598 595 597

95,597 595

351,597 597 596

205,227,597 . 597

596 597 169

431,541,597 596 597

147,596,597 596 598 597 598 598 598

600

Tanano, I. Tejeda, G. Tomkinson, I. Tranquille, M. Valeur, B. Van der Veken, BJ.

595 598 421 596 595

371,598

Volovsek, V. Walsh,M.M. Wang, H. Williams, D.A. Yurtseven, H. Zakharieva, O.

598 596 596 193 598 598

SUBJECT INDEX

A

Ab initio calculations

Accordion vibration

Acetaldehyde (ClhCHO)

Acetic acid (CH3COOH)

Aaolein (CHzCHO)

Aaylic acid (CHzCHCOOH)

Aaylyl halides

Adenine

Adiabatic approximation

Adiabatic separation

Adsorption on Ag[III] ofNzO

Adsorption on Ag[III] of NO

Adsorption on Cu[IIO] of NO

Aggregation

Al(CO)z

a-cleavage

Algorithm for determining the point group

AlH3

Alkali metals

Allyl halides (C3H,x)

Allyl hydride

AlIylazide

Aluminium monohalides

AMI method

Aminobenzotrifluorides «),F3~

I-Aminonaphthalene (C1oHgN)

Ammonia (NH3)

Ammonium ion (NH4+)

Anhannonic frequencies

Anhannonic potential

Aniline (c.sH,N)

Annealing

AntantItrene (CuH1z)

Anti-Stoke's lines

Ar-isolated Kr

Ar.Benzene

Ar.Furan

Ar.HCI

Ar.Pyridine

Ar.Pyrrole

601

25-28,130,147,242,292-294,341,391,415

492

483-486

130-133,281-284

135,136

128, 134-138,143-144

135,136

148

232

243

572,586-588

572-585

588-589

32,49,62,150

53

133-134

439

26,48

96

379-384

105,109

531

65

151,156

334-337

356

103,312,511

429-432

21

363

319

6,17,29,49,63,127,507

175

426

206

276,291,293-297

276,291

397

276

276,291

602

ArIl.LiF

Ar2.Furan

Ar2.HCI

Ar2.HF

Arrhenius equation

Asymmetric double-minimum potential

Atom-atom potentials

Atomic a"OSS section

Attenuated Total Reflectance (ATR)

B

~~

Band narrowing effect

Band profile analysis

Basis set superposition error (BSSE)

Benzene (CsH6)

1,3-Benzodioxole (c,02~)

Benzo(ghi)perylene (Y2H12)

Benzotrifluride (C,H5F3)

Berilium oxide (BeO)

BF3.CH3F

BH3

BH3

Bimolecular addition

Binding energy

Biphenyl «C~5n)

BoIt7mann distribution

Born-Oppenheimer approximation

Br20

Bragg's law

Bravais space cell

Breathing vibration

Broad-band photolysis

BrOBr03

Bromoalkanes

Buckingham potential

Butane (n-C~lO)

Butterfly vibration

C 13C NMR Spectroscqly

CosF6

('12-CosF6)

218

277

219

219-220

384

242

363

423

9

17

128

378,396

150,159,292,404

312,323,436

328-331

175,180,183

332

102

413-417

17,53

53

49

277-281

537

326

232

13

424

477,494-504

322

15

13

536

208

378,379

323,330

151

103

105

Cageeffert

camphor Carbon dioxide (C~)

Carbon moooxide (CO)

Carbon tetrabromide (CBr4)

Carbon tetradtloride (CC4)

Carbon tetratluoride (CF4)

Carboxylic compomuls

Catedtol (4H602)

Cavity radius

Cell design

Center of interadioo point

Center of symmetry

Center-of-mass coordinate system

Centrifugal distortion constants

CH2N2

1-CH3-Adenine

l-CH3-Cytosine

CH3Mn(CO)S

CH3ZnH

Cltarader Tables

Chlorine oxides

Cltloroacetic acid (CH2CICOOH)

Chloroacetonitrile

1-Cltloro-2-tluoroethane (~~FCI)

l-Cltlort¥OPane (C3H,cI)

Cltromium hexacarbonyl (Cr(CO~)

Cltromium pentacarbonyl (Cr(CO)s)

Chromous acid (HCr02)

Cltrysene (C1sH12)

Ch0 2

CIO

CI02

CIOCI

Closed-cycle refrigerator

Cluster sizes

CNDOI2 method

Co(CH3)H

CO. Benzene

CO.BF3

CO.H20

CO.Pyridine

CO.PyrroI

603

100,101,103

506

31-32,104-106,130-133,140,143-144

31,106,130-133,140,143-144,209-218,271.297-304

506

506

506

125-146

339-341

391

371-377

216

437

355

279,293

97

147,150-156

147,156-159

51

53

445-447,460-475

66-69

127

203

389-392

389-392

96,98,100,110

30,53,69,96-101,109

228-230,332

175

66,75

66

66

66

3,54

209

151

97

297,298

410-412

304-305

302-304

298-302

604

caCh Combination bands

Configurations Interaction (CI)

Confonnational analysis

Confonnational isomerism

Confonnational sellection by enzymes

Controlled di1fusion

Cooling of internal degrees of freedom

Coronene (~H12)

Correlation energy oorredion

Correlation field

Correlation field splitting

Correlation method

Cosmic rays

Cowrterpoise correction

Cr(CO),(N2)

Cr(CO),(1]2-H2)

Cr(CO),(1]2 -H2)

Cr(CO),(NH3)

Cr(CO),(NH3)

cr02

Crotonase

Crotonic acid (CH3CHCHCOOH)

Crystal systems

Crystallites

Crystallographic point-groups

C~lographic unit cell

CsUF6

Curve fitting analysis

l-Cyano-3-butyne (C,NH,)

Cyclobutane (C.JIa)

Cyclooexane (CsH12)

Cyclooexanol (~H,OH)

Cyclooexylallene

Cyclopentane (C,H10)

Cytosine

D

DebyeTlaw

Decamethylrhenocene

Decarbonylation

Decarboxylation

Degenerate Four-Wave Mixing Laser Spectroscopy

30

488,543

25

351-368,371-418,552

125-146,529

552,556

49

249-269

175,178

238,242

480

490

480

171

150

119

110

119

103

110

77

552

128,138-144

480

8

479

477

30,98

565-566

531-532

505-506,520

505-506

506

531

519

148

432

99

132-133

133

238

DEnsity-of-states spedrum

Depolarization ratio

Deuterated KDP (DKDP)

Devonshire potential funruon

Diamond anvills

1,3-Dibromopropane (C3Br214)

1,4-Didll0r0-2-butyne (<4ChH.)

1,2-Did1loropropane (C3I4Ch)

Dichroic photoseleruon

Dielectric constant

Difference combination bands

Di1fuse interstellar bands (DIBs)

Difluoroethane (CH2FCH2F)

9,10-Dihydroanthacme (C14H12)

9,10-Dihydrophenanthrene (C14H12)

1,3-Diiodopropane (C3h14)

2,3-Dimethylbutadiene (CJl12)

3,4-Dimethylenethiophene (CJlsS)

Dinitrogen complexes

Dioxycarbene

Diphenylbutadiene (Cl~12)

Dipolar coupling

Dipole/induced dipole interaruon

Direct tllllneling pathway

Disordered aystal

Dispersed fluorescence (OF)

Dispersion forces

Dissociative adsorption of NO

Distributed multipole/distributed polarizability analysis

Dithioacyl papains

Dithioester group (CSz)

Dithiooxamide (SCNH2n Doppler effect

Double-minimum hydrogen bonds

Double-minimum potential

Double-Morse potential

Duschinskyeffect

Dynamic disorder

Dynamic stereodlemistry

E

Electric induruon energies

Electric Resonance Optothermal Spectroscopy (EROS)

605

490,515

440

229

213

530

533

531

389-392

101

509

3,128

169-190

210

319

319,321

533

66

12

111

133

351

12,578

219

233,244

489-490,505-526

315-316,348

219,516

586

292

560-564

560-564

480-482

263,265,315

232

233

230-231

342

526,520

364-367

218

272

606

Ele<:Uo-<Jptical selection rules

Eledron Diffiaction

Electron Spin Resonance Spectroscopy (ESR)

Eledronic dispersion

Eledronic spin effect

Electrospray ionization

Fnergy transfer

Fnergy-factored force field

Entropies of transition to plastic phases

Ethane (~H.s)

Ethylene (~14)

Exchange overlap interactions

Exchange quadrupole interactions

External degrees offreedom

Extemallattice modes

F

Fabry-Perot cavity

Factor group approach

Factor group splitting

Factor group synunetry

Factor groups

Far-infrared

Fe(eO).(1l2 -C]H.s)

Fe(dqleMHh

Fe(1l2 -propene xeOh

Fe(T{propene xeo).

Fe(1l4-c~xeOh

Fe(ll' -c,H,xeoh

Fe(ll' -c,H,xeoh dimer

Fe(ll' -C,H,h(~-COh Fenni resonance

FHF Field-cycling techniques

Fluid dynamics

Fluorescence

Fluorescence detection

Fluorescence Excitation Spectroscopy (FE)

Fluorescence quantum yield

3-F1uorostyrene (CsH7F)

2-F1uorotoluene (~H7F)

Formic acid (HCOOH)

Franck condon progression

423

52,62

6,8,10-12,117-118

150

262

189

46

21

506

332

80,103,106

219

219

480

490

271,273-275

450

455

480

490

6

109

112

105

105

105

109,113

109,113

109,114

33,414

233

424

249

9,10,118,541

352

315-316,348,352

315,541

344-348

333

128-134,222-223,281-284

358

Franck-Condon factors

Franck -Condon intensity distribution

Franck-Condon principle

Free induction decay (FJD)

Frequency doubled dye laser

Fullerene

G

Gal~

GaH1

GaH3

Gallium monohalides

Gas phase molecular spectroscopy

GAUSSIAN 90/92/94

Geometrical isomers

Globular molecules

Glyoxal (C2H20 2)

Great orthogonality theorem

Group theory

Guanine

Guest-host interactions

H

H2CO.H10

H2GaCI dimer

H10.2-Pyridone

H::Zn2

HC!.AIkyl halide

HCI.OlI0r0acetonitrile

HCI.Ethylene

HC!.H20

HC!.Methane

HCI.N2

HCI.OCS

HCI.Propene

HC!. Vinyl halide

Herberg-Teller vibronic interaction

Hermann-Mauguin notation

Heterodesmic lattice

Hexachloroethane (CzC4)

Hexadienoyl ethylthiolester

Hexadienoyl-CoA

Hig/l pressure crystallization

607

317-318,335,348

348

317

273-275

351

170,173,436

15,62

18

56

65

249

150

352

505

260-261,264

447

436

148

208

305,306

15

361-364

17

399-404

203

197,404-406

196-197

196

196

408-409

197

406-407

333

438,477478,494-504

450

506

553-556

554-556

532-536

608

High pressure spectroscopy

HigJ!. Resolution Electron Energy Loss Spedrometry

High Resolution NMR Spectroscopy

Highest occupied molecular orbital (HOMO)

HMn(CO),

HOF

Hole-buming

Homodesmic lattice

Homogeneous linewidths

Hatbands

Hydrocarbon glasses

Hydrogen (H2)

Hydrogen bonding

Hydrogen bonding clusters ofH:O

Hydrogen bonding clusters of~

Hydrogen bonding vibration

Hydrogen dlloride (HCI)

Hydrogen fluoride (HF)

Hydrogen fluoride dimer (HF)

Hydrogen-bonded complexes

I-Hydroxynaphthalene (CloOHa)

9-HydroX)pbenalenone (C13Ha02)

2-HydroX)pyridine

2-Hydroxyquinoline

Hyperfme coupling

I

Identity

Identity operator

Imidazole

Imidazole.H20

Improper axis

Impurity-induced hcp packing

Inelastic Neutron Scattering Spectroscopy (INS)

Infrared fluorescence

Infrared Spectroscopy

Inhomogeneous linewidths

Integrated intensity

Intermolecular dynamical interaction

Intermolecular forces

Intermolecular potential energy surface

Intermolecular vibrations

Intemal coordinates

529-539

574

S58

179

117

53

340-341

448

215

3,128

108-109

73-74,80

62,147-165,193,363,483

351

351

324

193-204,392-407,511

511

272

271,281-285

354

325

351

351

117

437

436

147

159-162

437

215

6,229,231,423

213

1-43,108-112,125-165,529-538

215

395

458

193

292,305

291,363,488

480

Internal rotation

Interstellar clouds

Interstellar dust

Interstellar extinction curve

Interstellar mediwn (ISM)

Intra Cavity Laser AbsoqXion Spectroscopy (ICLAS)

Intramolecular energy transfer

Intramolecular hydrogen bonding

Intramolecular potential energy fimctions

Intrinsic reaction pathway

Inversion axis

Inversion operator

Inversion vibrations

Ir(TJs -CsHsXC2H.th

Ir(TJs -C,H,XCO)

Ir(TJ' -C,H,XCOXC2H.t)

Ir(TJ' -C,H,XCOXCH3)H

Ir(TJ' -C,H,XCOXHh IRIS pulsed neutron source

Irreducible representation for lattice vibrations

Irreducible representation of a group

Isomerization reactions

Isotopic change effects

J

Jacobi coordinates

Jaoquinot advantage

Jacquinot aperture

K

KDP

Keto-enol tautomerism

KHF2

Kraitchman's equation

L

Laboratory Astrophysics

Large amplitude vibrations

Laser ablation

Laser Difference-Frequency Far-Infrared Spectroscopy

Laser Induced Fluorescence (LIF)

Lattice vibrations

Lennard-Jones potential

609

291

171

175

169

169

267

51,128

135

208-209

233

479

436,458

291,312-332

105,112

102

105

102

104

424

477

444-445

356

3,17,128,195,205-223,355

235

546

546

229,232

351

234

355,362

169-170

311-348,490

189,274

238

33,107,264-265

458,477,513

208,280,292,303

610

Libration vibrations

LiGan..

~i: 'Li isotopomer ratio

Line group

Line group analysis

Linear Dichroism (LD)

Lineshape analysis

Lippincott-Scbroeder potential

Liquefied noble 8llses

Liquid cry&tals

Liquid Helium cryostat

Litium fluoride (LiF)

Litium fluoride dimer (LiF)z

Litium fluoride tetramer (LiJ'X

Litium fluoride trimer (LiF»

Low~ quartz microbalance

Low-lying excited electronic states

M

Mach disk

Mach number

Magnetic cirrular dichroism

Magnetic linear dichroism

Malonaldehyde

Mass-selected resonance-eohanced twOojlboton two-color ionization

Matrix

Matrix deffea

Matrix effea on ground electronic state

Matrix effea on molecular strudure

Matrix effea on photochemistry

Matrix effea on spectra

Matrix site effects

Matrix-isolation

Maxwell Boltzmann distribution

(MIllNhGaH3

Metal carbene <XlIq)lexes

Metal carbonyls

Metal ethylene <XlIq)lexes

Metal porphyrin dioxygen

Metal surface selection rule

Metal vinyl hydrides

Metallocenes

421,458

15

206

490

490-492

9

572

366

109-112,117-119,371-418

507

177

206-208,214

216

206,214

214

7,126

311

252,255

252-257

6,10,106

6,10

237-238

294,297

1-43,45-93,95-124

209

97-98

97-98

100-104

98-99

9,21,29-32,127,189,193-223

193-204,417

196,253,258

57

95,105,115

95,99

95,105

95

570,585

105

95,106

Methane (Cn..) 73-74,95,104,106,112,114,130-133,196,215,427-428,506,511

Methanol (CH30H)

Methyl aaylate (CH2CHCOOCH3)

Methyl tluoride (CH3F)

Methyl formate (HCOOClla)

Methyl group (CH3)

Methyl iodide (CllaI)

I-Methylnaphthalene (CllH10)

Methyl nitrite (CllaONO)

Methyl vinyl ketme (ClkCHCOCH3)

Michelsm interferometer

Miaowave spectroscopy

Miller-Harney cell

Millimeterwave Spectroscopy

Minimum energy intrinsic reaction path

Mn(CO).{NO)

Mn(CO)5

Mn(TJ1-C7H7XCO)5

Mn2(CO)lO

Mn2(CO~

Mo(CO)6

Mo(TJ4-norbomadieneXCOx Mo(TJ5 -C5H5XCOh(CF2)F

Mo(TJ5 -C5H5XCOh(CF3)

Modelling matrix trapping sites

Modified Lermard-Jones potential

Modified Morse potential

Molecular beam electric resonance (MBER)

Molecular crystals

Molecular dynamics

Molecular mechanics

Moller-Plesset perturbation theory (MP2, MP4)

Moments of Inertia

Monotluorotoluenes (~H7F)

Mossbauer Spectroscopy

Mulliken charges

Multilayer desorptim ~

Multiphmon processes

Multiplication tables

Mutatim

Myoglobin

N

N-benz.oylglycine dithioacyl papain

611

130-133,491,505-506

135,136

209-210,215,217

128-134

312,332,426,491

426

356

126,384-389

135,136

544

325,355

553,560

272

243

48

119

104

9,100,117

9

48,114

105

105

105

205

295

293

272,305

448-450,477-492,505

8

128

150,242,293,415

3

334-337

6,8

165

578,587

492

441

147

556

565

612

Naphtalene (CloRa)

I.Naphtoic acid (Cl1Ha02)

NbCI,

NBr

9-(N-Carbazolyl) anthracene (~~17)

Near Infrared Fourier Transform Raman Spectroscopy

Neopentane (C(CHa).)

Neutron spectrometer IRIS

4-NH2·Pyridine

4-NHr Pyridine.H20

NH3.2-pyridone

Ni(CO).

Nickel

Nitro oomplexes

Nitrogen (N2)

NMR Spedroscopy

N~

Non-equilibrium kinetic effects

Nonadiabatic ooupling interactions

Nonadiabatic ooupling matrix

Nonadiabatic energy correction

Normal coordinate analysis

Nuclear spin statistic effect

Nucleic acid bases

o 02Pel

03CIOCIOJ

Occupation number

OCIO

Octatetraene

OPel

Oppositely-directed Morse curves

Optical isomers

Ordered crystals

Organometallic photoprocesses

Orientationally disordered solids

Oriented gIIS approach

Os(CO),

Os(CO~

0s(116 -C~3M~XCOXC2H.)

0s(116 -C~3M~XCOXHh 0s(116-C~3M~XCOh

175,180,181,352

360

30

209,218

339·341

541·549

506,508

424-425

147

162·163

361·364

16,77

98

106

31,271

6,8,57,111·112,424,526

250,262,265

255·256

233

237

236

18,22,62

261·262

147·165

17

66

480

66

351

17

229

352

380-489

102

490

4S0

100

100

lOS 104

104

~(CO)a

Osz(CO)a(~-CzH.)

~(COfi>

Ovalene (C,ZHI4)

Overtone

Oxamide (OCNHzn

Oxidative addition

Oxygen(Oz)

Ozone(~)

p

Papain catalysed hydrolysis ofthionoesters

[2.2]-Paracyclophane (CI6HI6)

Pd(CO)4

Pentacene (~ZHI4)

Pentaphene (~ZHI4)

Perlluoronaphtalene (CloFs)

Perylene (~oH12)

Phenantrene (Ct4H10)

Phenylsilane (C;;SiHs)

Phonon modes

Phonon population

Photoacoustic measurements

Photochemical reactions

Photoconduction

Photodecomposition

Photodissociation

Photoelectron Spe<.trosoopy (PES)

Photoisomerisation

Photolysis

Physisorbed overlayers

Pinhole jet

Plastic crystal

Point groups

Point-symmetry operations

Poisson coefficient

Polarisation

Polarised photolysis

Polarizability tensor

Polycyclic aromatic hydrocarbon cations (P AHs +)

Polycyclic aromatic hydrocarbons (P AHs)

Polyethylene

Polytetrafluoroethylene

613

103-104

103

103-104

175

311,543

480-482

105

221

75

561-563

322

53

175,178

175

323

175

175,180,182

334

477-492

432

6

95-124128

6

75,125

100-102

315,348

100,101,105,367

9,17,29,49,126

571

250,260,262-263

488,505-526,531

438,479,490

479

251,258

104

101

446

169-190

169-190

491

533

614

Porphyrins

Potential energy fimctioos

Pressure induced conformational dtanges

Primitive wit cell

Propene (CH3CHCH2)

Proper axis

Propyne (CH3CCH)

Protein complexes

Protein dynamics

Protein fimction

Protein structure

Proton transfer reaction

Proton twmeling

Pseudorotational motion

Pulsed deposition

Pulsed jet

Pulsed Nozzle Fourier Transform Miaowave Spectroscopy

Pyrene (C1.JilO)

2-Pyridone

Pyrolysis

Q Quadrupole coupling constants

Quantum medtanical twmeling

Quantum tlDUleling regime

Quantum yield

Quinoline

R

Radial symmetry

Radio frequency synthesizer

Raman Spedroscopy

Rare gas- hydrogen halide complexes

Re('r,' -C,H,XCOh

Re('r,'-C,H,h

Re(TJ' -C,H,)H

Re(TJ'-C,Me,h

Reaction field model

Red rectangle

Redlidt-Teller product rule

Reductive elimination

Reflection Absorption Infrared Spedroscopy (RAIRS)

Reflection operator

173

207-209

535-536

450

143-144

437

80,143-144

552

551-567

551-567

551-567

366

227-246

520

3

315

271-285

175,178,180,181

283

541

304

293

425

133

351

435

274-275

6,8,57,315,426,511,551

272,291

111

104,107

104

107

389

173

210-212

104-105

569-590

436

Relativistic oorrections

Representatioo of the groups

Resonance Enhanced Multiphoton Iooizatioo (REMPI)

Resonance Raman Spectroscq:Iy (RR)

Reyleigb line

Rh(l]' -C,H,XC2~h

Rh(l]' -C,H,XPMe:tX~~)

Rh(l]'-C,H,xPMe:tXl]2-C,;F6)

Rh(l]' -C,Me,XCOh

Rh(l]' -C,Me,XCO)Xe

Rhenocene

Ring bending vibratioo

Ring puckering vibratioo

Rotamerisatioo

Rotatioo ~or

Rotatioo-reflexioo operator

Rotatiooal constants

Rotatiooal cooling

Rotatiooal degrees offreedom

Rotatiooal distortioo constants

Rotatiooal ~

Rovibronic transitioo

Ru(COh(PMe:t)2

Ru(COh(PMe:th(H)2

Ru(COh(PMe:thS

Ru(COh(PMe:th

Ru(dmpeh

Ru(dmpeh(Hh

RU(l]' -C,H,XCOh(N02)

RU(l] , -C,H,XC02XONO)

s Scattering laws

Schoeoflies notatioo

Sanetic liquid crystal

Seomdary-Ioo Mass Spectrometry

Selection rules for Hyper-Raman

Selection rules for Resonance Raman

Serial symrndIy

Shock waves

Silane(S~)

Silicon tetrachloride (SiC4)

Single reflection geometry

615

25

442-444

190,315-316,334,348

33,112-118,142,560-566

426

103,112

112

103,105

117

117

118

314

314,321,330,520,524

51

436

437

62

249

271

293

273,354

358

103

103

102

103

114,115

114

104

106

423

438,479

535

6

460

460

435

251-252

506

509

570

616

Single Vibronic Level Fluorescence (SVLF)

Site synunetry

Site synunetry approach

Skimmer tedmique

Slit jet

SNO

Space groups

Spectral bandwidth

Speed of SOIDld

Spin conversion

Spin-lattice relaxation times

Stark modulation

Stark spectrometer

Static disOrder Static stereochemistry

Stellar photons

Stepanov's adiabatic approximation

Stepanov's adiabatic separation

Stoke's lines

Stokes scattering

Structural isomers

Styrene (C.Hs)

Sub-Doppler linewidth

Superaltical noble gases

Supersonic free jets

Supersonic jet

Supersonic nozzle beam

Swface dilfusion

Swface reactions

Symmetry elements

Symmetry operators

Symmetry plane

Symmetry species

T

Tautomerism

Temperatures of transition to plastic crystals

tert-Butyl chloride ((CHahCCI)

1,1,2,2-Tetrabromoethane (CHBI"lCHBr2)

1,1,2,2-Tetrachloroethane (CHCIzCHCh)

1,2,4,5-Tetrafluorobenzene (CsF4H2)

Tetraphene (C1aHl2)

ThCt..

315-316,348

453,480,494-504

450

265

250,262-263

34

438-441,479,490,494-504

547

253

431-432

424-425

272

272

520

352-364

171

235,237

234

426

424

352

332,341-344

315

109-112,117-119

249-268,274,311-348

274

272

571

569

436-438

436-438

437

447-448

126,147-165

506

489-490,506-507,513

532

532

323

175

30

Thennal decomposition

Thiourea (H2N=S)

Three-body interactions

Three-body potential energy fimctions

1, 1, I-Threechloroethane (CHaCCh)

Time-Resolved Infrared Spectroscopy (TRlR)

Time-Resolved Spectroscopy

Toluene (C,Hs)

Torsional vibrations

Trans-l,4-dihalocydohexanes

Transition metal complexes

Translational degrees offreedom

Translational operations

Trapping site geometry

Trifuoroacetic acid (CF3COOH)

Trimethylamine (N(CH3)3)

1,3,5-Trioxane

1,3,5-Trithiane

Tropolone (C7Hcs02)

Tropolone state SI

TlDlg/tenooene

Twmeling barriers

Twmeling effect

Twmeling spectroscopy

Twmeling splitting

U

Ubbelohde effect

Ultraviolet Photoelectron Emission Spectroscopy

Ultraviolet-Visible Spectroscopy

Unsaturated carbon chains

Uracil

V

Vacuum-uhraviolet absorption

Van der Waals bonds

Van der Waals co~lexes

Van der Waals vibrations

Van't Hoffplot

Vibratiooal ~litudes

Vibratiooal cooling

Vibrational energy transfer

Vibrational relaxatioo

617

54

451-457

218

219

506

112-116

53,112-117,125,551

66,323,334

332-348

531,534

95-124

271

479

213-216

281-284

57

537

537

232,237-246,314,324-325,332

233

106

242

312

421-433

358,423

230,232

6

10

173

149

6

279,450

271,291-306,351,363,367-371,392-417

291,403

378,409

52,55

315

10

52

618

Vibrational state-specific tmmeling doublets

Vibrational teIqlerature

Vibrationally averaged structure

Vibronic transitions

Vinyl hydride

W

W(CO),J(e

W(l1~ -C~H~XHh

W(l1~-C~H~h W-shape potential

Water (H20)

Weakly bound molecular COIq>lexes

Weierstrass lens

Wigner-Seitz unit cell

WKB analysis

X

X-ray Absorption Fine Structure (EXAFS)

Xanthene (CI30H10)

xeCh XeH2

Z

Zeolite

Zero point vibrational energy

Zero-Kinetic Energy Photoelectron Spedroscopy (ZEKE)

Zone of silence

ZrJ4

237-245

410

277-281

180,358

112

117

106

106,118

314,319,324

32-33,130-133,140,543

271-285,291,571

545

450

246

6,12

319,321

53

53

81

150,242,354,358

190,315,318,348

252

53


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