Volume 106; Issue 14

Journal of Physical Chemistry A

Volume 106; Issue 14

1

A New Approach to Vibrational Analysis of Large Molecules by Density Functional Theory: Wavenumber-Linear Scaling Method †

Yoshida, Hiroshi, Takeda, Kumi, Okamura, Junko, Ehara, Akito, Matsuura, Hiroatsu

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 64 KB

english, 2002

2

A Computational Study of the Raman Spectra of Large Polycyclic Aromatic Hydrocarbons: Toward Molecularly Defined Subunits of Graphite †

Negri, Fabrizia, Castiglioni, Chiara, Tommasini, Matteo, Zerbi, Giuseppe

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 554 KB

english, 2002

3

Infrared Reflection Absorption Spectroscopic and DFT Calculation Studies on the Adsorption Structures of Dimethyl Ether on Ag(110), Cu(110), and Their Atomic Oxygen-Reconstructed Surfaces †

Kiyohara, Tairiku, Akita, Masato, Ohe, Chikaomi, Itoh, Koichi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 199 KB

english, 2002

4

Conformational Change of Poly( N -isopropylacrylamide) during the Coil−Globule Transition Investigated by Attenuated Total Reflection/Infrared Spectroscopy and Density Functional Theory Calculation †

Katsumoto, Yukiteru, Tanaka, Takeyuki, Sato, Harumi, Ozaki, Yukihiro

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 182 KB

english, 2002

5

A Study of Binary Phospholipid Mixtures at the Air−Water Interface Using Infrared Reflection−Absorption Spectroscopy and 2D IR βν Correlation Analysis †

Elmore, Douglas L., Shanmukh, Saratchandra, Dluhy, Richard A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 150 KB

english, 2002

6

Structural Asymmetry of Bacterial Reaction Centers: A Q y Resonant Raman Study of the Monomer Bacteriochlorophylls †

Frolov, Dmitrij, Gall, Andrew, Lutz, Marc, Robert, Bruno

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 110 KB

english, 2002

7

UV Resonance Raman Study of the Spatial Dependence of α-Helix Unfolding †

Ianoul, Anatoli, Mikhonin, Alexander, Lednev, Igor K., Asher, Sanford A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 59 KB

english, 2002

8

Changes in Molecular Structure upon Triplet Excitation of All- trans -Spheroidene in n -Hexane Solution and 15- cis -Spheroidene Bound to the Photo-Reaction Center from Rhodobacter s phaeroides As Revealed by Resonance-Raman Spectroscopy and Normal-Coordinate Analysis †

Mukai-Kuroda, Yumiko, Fujii, Ritsuko, Ko-chi, Naomi, Sashima, Tokutake, Koyama, Yasushi, Abe, Motoko, Gebhard, Ronald, van der Hoef, Ineke, Lugtenburg, Johan

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 200 KB

english, 2002

9

Two-Dimensional Raman (2D Raman) Correlation Spectroscopy Study of Non-oxidative Photodegradation of β -Carotene †

Noda, Isao, Marcott, Curtis

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 167 KB

english, 2002

10

Solvation Dynamics Probed by Femtosecond Transient Absorption Spectroscopy: Vibrational Cooling and Conformational Relaxation in S 1 trans-4,4‘-Diphenylstibene †

Tan, Xin, Gustafson, Terry L., Lefumeux, Christophe, Burdzinski, Gotard, Buntinx, Guy, Poizat, Olivier

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 79 KB

english, 2002

11

Monitoring the Allosteric Transition and CO Rebinding in Hemoglobin with Time-Resolved FTIR Spectroscopy †

Chen, Ruopian, Spiro, Thomas G.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 128 KB

english, 2002

12

Transient Resonance Raman Investigation of the ∼570 nm Transient Absorption Band Observed after Ultraviolet Photolysis of Diiodomethane in the Solution Phase †

Li, Yun-Liang, Wang, Dongqi, Leung, King Hung, Phillips, David Lee

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 57 KB

english, 2002

13

Real Space Analysis of Excitonic Interactions and Coherence Length in Helical Aggregates †

Piryatinski, Andrei, Asher, Sanford A., Mukamel, Shaul

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 133 KB

english, 2002

14

Chemical Reactivity of Formaldehyde in a FeAlPO 4 Sieve †

Yeom, Y. H., Ulagappan, N., Frei, H.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 68 KB

english, 2002

15

Infrared Hole-Burning of Crystalline Ammonium Copper Tutton Salt: Tunneling Kinetics and Jahn−Teller Distortions

Cha, Yun-Hwan, Strauss, Herbert L.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 137 KB

english, 2002

16

Observation of Herzberg−Teller-type Wave Packet Motion in Porphyrin J-Aggregates Studied by Sub-5-fs Spectroscopy †

Kano, Hideaki, Saito, Takashi, Kobayashi, Takayoshi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 188 KB

english, 2002

17

Dynamics and Retinal Structural Changes in the Photocycle of the Artificial Bacteriorhodopsin Pigment BR6.9 †

Atkinson, G. H., Zhou, Y., Ujj, L., Aharoni, A., Sheves, M., Ottolenghi, M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 296 KB

english, 2002

18

Density Functional Theory Study on the Raman Spectra of Negative Polarons and Negative Bipolarons in Na-Doped Poly( p -phenylene) †

Honda, Kotaro, Furukawa, Yukio, Furuya, Kazuhiko, Torii, Hajime, Tasumi, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

19

Surface Enhanced Raman Spectroscopy and Theoretical Studies on 1,4-Dihydrazinophthalazine Sulfate †

Pavel, I., Moigno, D., Cîntǎ, S., Kiefer, W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 187 KB

english, 2002

20

Investigations of Anharmonic Low-Frequency Oscillations in Heme Proteins †

Rosca, Florin, Kumar, Anand T. N., Ionascu, Dan, Ye, Xiong, Demidov, Andrey A., Sjodin, Theodore, Wharton, David, Barrick, Douglas, Sligar, Stephen G., Yonetani, Takashi, Champion, Paul M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 212 KB

english, 2002

21

Observation of Resonance Hyper-Raman Scattering of a ll-trans -Retinal †

Mizuno, Misao, Hamaguchi, Hiro-o, Tahara, Tahei

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 73 KB

english, 2002

22

States of Molecular Associates in Binary Mixtures of Acetic Acid with Protic and Aprotic Polar Solvents: A Raman Spectroscopic Study †

Nakabayashi, Takakazu, Nishi, Nobuyuki

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 145 KB

english, 2002

23

Excited States of 4-Aminobenzonitrile (ABN) and 4-Dimethylaminobenzonitrile (DMABN): Time-resolved Resonance Raman, Transient Absorption, Fluorescence, and ab Initio Calculations †

Ma, C., Kwok, W. M., Matousek, P., Parker, A. W., Phillips, D., Toner, W. T., Towrie, M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 178 KB

english, 2002

24

Laser-Induced Fluorescence Spectra and Torsional Potential Energy Functions of Jet-Cooled 4,4‘-Dimethyl- trans -Stilbene †

Arp, Zane, Chiang, Whe-Yi, Laane, Jaan, Sakamoto, Akira, Tasumi, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 114 KB

english, 2002

25

Mechanistic Study of CH 3 OH + O 2 Photoredox Reaction in a FeAlPO 4 Sieve by Time-Resolved FT-IR Spectroscopy †

Yeom, Young-Hoon, Frei, Heinz

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

26

Publications of Mitsuo Tasumi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 77 KB

english, 2002

27

Reactions of Laser-Ablated Gold with Nitric Oxide: Infrared Spectra and DFT Calculations of AuNO and Au(NO) 2 in Solid Argon and Neon †

Citra, Angelo, Wang, Xuefeng, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

28

Spatially Modulated Refractive Indices and Optical Filter Characteristics in the Light-Induced Metastable State of Na 2 [Fe(CN) 5 NO]·2H 2 O †

Morioka, Yoshiyuki, Saitoh, Hideki, Machida, Hiroshi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 112 KB

english, 2002

29

Infrared Spectra and Density Functional Theory Calculations of Iminoxy Radicals Produced by Visible-Light-Induced Reaction between 1-Phenyl-1-Propyne and NO 2 in Low-Temperature Argon Matrixes †

Uechi, Tomohiro, Kudoh, Satoshi, Takayanagi, Masao, Nakata, Munetaka

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 75 KB

english, 2002

30

Structure Studies of Dimeric [Pt 2 (CN) 10 ] 4- Pentacyanoplatinum(III) and Monomeric Pentacyanoplatinum(IV) Complexes by EXAFS, Vibrational Spectroscopy, and X-ray Crystallography †

Jalilehvand, Farideh, Maliarik, Mikhail, Mink, János, Sandström, Magnus, Ilyukhin, Andrey, Glaser, Julius

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 191 KB

english, 2002

31

Photochemically Induced Reactions of Ozone with 1,2-Dibromoethene and 1,2-Dichloroethene: An FT-IR Matrix Isolation Study †

Clark, Robin J. H., Foley, Loraine J.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 108 KB

english, 2002

32

A Study on Hydrogen-Bonded Network Structure of Polybenzoxazines †

Kim, Ho-Dong, Ishida, Hatsuo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 136 KB

english, 2002

33

Biography of Mitsuo TasumiQuestions by the Guest Editors and Answers by Mitsuo Tasumi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 23 KB

english, 2002

34

Picosecond Infrared Spectrum of 4-(Pyrrol-1-yl)benzonitrile: Structure of the Excited Charge-Transfer States of Donor−Acceptor Systems †

Okamoto, Hiromi, Kinoshita, Mariko

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 85 KB

english, 2002

35

Analysis of the Solvent- and Temperature-Dependent Raman Spectral Changes of S 1trans -Stilbene and the Mechanism of the trans to cis Isomerization: Dynamic Polarization Model of Vibrational Dephasing and the CC Double-Bond Rotation †

Iwata, Koichi, Ozawa, Ryosuke, Hamaguchi, Hiro-o

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 89 KB

english, 2002

36

Raman Spectra and Normal Coordinate Analysis of the N1−H and N3−H Tautomers of 4-Methylimidazole: Vibrational Modes of Histidine Tautomer Markers †

Toyama, Akira, Ono, Kunio, Hashimoto, Shinji, Takeuchi, Hideo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 146 KB

english, 2002

37

Amide III Mode ϕ, ψ Dependence in Peptides: A Vibrational Frequency Map †

Mirkin, Noemi G., Krimm, Samuel

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 58 KB

english, 2002

38

Density Functional Theory Calculations of Vibrational Circular Dichroism in Transition Metal Complexes: Identification of Solution Conformations and Mode of Chloride Ion Association for (+)-Tris(ethylenediaminato)cobalt(III) †

Freedman, Teresa B., Cao, Xiaolin, Young, Daryl A., Nafie, Laurence A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 116 KB

english, 2002

39

Interpretation of Amide I Difference Bands Observed during Protein Reactions Using Site-Directed Isotopically Labeled Bacteriorhodopsin as a Model System †

Hauser, Karin, Engelhard, Martin, Friedman, Noga, Sheves, Mordechai, Siebert, Friedrich

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 86 KB

english, 2002

40

Ab Initio Density Functional Theory Calculations and Vibrational Analysis of Zinc-Bound 4-Methylimidazole as a Model of a Histidine Ligand in Metalloenzymes †

Hasegawa, Koji, Ono, Taka-aki, Noguchi, Takumi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 130 KB

english, 2002

41

Vibrational Analysis of trans -Stilbene in the Ground and Excited Singlet Electronic States Revisited †

Watanabe, Hiroyuki, Okamoto, Yuichi, Furuya, Kazuhiko, Sakamoto, Akira, Tasumi, Mitsuo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 173 KB

english, 2002

42

Conformational Stability from Temperature-Dependent FT-IR Spectra of Liquid Xenon Solutions, ab Initio Calculations, and r 0 Parameters for Methylhydrazine †,‡

Durig, James R., Gounev, Todor K., Zheng, Chao, Choulakian, Armen, Verma, V. N.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 104 KB

english, 2002

43

Photoorientation of a Liquid Crystalline Polyester with Azobenzene Side Groups. 1. Effects of Irradiation with Linearly Polarized Blue Light †

Zebger, I., Rutloh, M., Hoffmann, U., Stumpe, J., Siesler, H. W., Hvilsted, S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 137 KB

english, 2002

44

Influence of Liquid Dynamics on the Band Broadening and Time Evolution of Vibrational Excitations for Delocalized Vibrational Modes in Liquids †

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 80 KB

english, 2002

45

Co-workers and Students of Mitsuo Tasumi

Journal:

Journal of Physical Chemistry A

Year:

2002

File:

PDF, 4 KB

2002

46

Scientific Contributions of Mitsuo Tasumi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 36 KB

english, 2002

47

UV Resonance Raman Characterization of Model Compounds of Tyr 244 of Bovine Cytochrome c Oxidase in Its Neutral, Deprotonated Anionic, and Deprotonated Neutral Radical Forms: Effects of Covalent Binding between Tyrosine and Histidine †

Aki, M., Ogura, T., Naruta, Y., Le, T. H., Sato, T., Kitagawa, T.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 134 KB

english, 2002