Volume 106; Issue 11

Journal of Physical Chemistry A

Volume 106; Issue 11

1

Intersecting Conical Intersection Seams: Their Location, Representation, and Effect on Local Topography

Matsika, Spiridoula, Yarkony, David R.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 265 KB

english, 2002

2

BAC-G2 Predictions of Thermochemistry for Gas-Phase Aluminum Compounds

Allendorf, Mark D., Melius, Carl F., Cosic, Biljana, Fontijn, Arthur

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 144 KB

english, 2002

3

Valence Bond Configuration Interaction: A Practical ab Initio Valence Bond Method That Incorporates Dynamic Correlation

Wu, Wei, Song, Lingchun, Cao, Zexing, Zhang, Qianer, Shaik, Sason

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 64 KB

english, 2002

4

Photochemistry of 2‘-Hydroxychalcone. One-Way Cis−Trans Photoisomerization Induced by Adiabatic Intramolecular Hydrogen Atom Transfer

Norikane, Yasuo, Itoh, Hiroki, Arai, Tatsuo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 178 KB

english, 2002

5

On the Enthalpy of Formation of Hydroxyl Radical and Gas-Phase Bond Dissociation Energies of Water and Hydroxyl

Ruscic, Branko, Wagner, Albert F., Harding, Lawrence B., Asher, Robert L., Feller, David, Dixon, David A., Peterson, Kirk A., Song, Yang, Qian, Ximei, Ng, Cheuk-Yiu, Liu, Jianbo, Chen, Wenwu, Schwenke

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 241 KB

english, 2002

6

Study of Biogenic and α,ω-Polyamines by Combined Inelastic Neutron Scattering and Raman Spectroscopies and by Ab Initio Molecular Orbital Calculations

Marques, M. Paula M., Batista de Carvalho, Luís A. E., Tomkinson, John

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 125 KB

english, 2002

7

Aqueous Solubility−Molecular Size Relationships: A Mechanistic Case Study Using C 10 - to C 19 -Alkanes

Tolls, Johannes, van Dijk, John, Verbruggen, Eric J. M., Hermens, Joop L. M., Loeprecht, Björn, Schüürmann, Gerrit

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 57 KB

english, 2002

8

Theoretical Reevaluation of the π-Donating Effect of Electron-Withdrawing Substituents in the Conjugated Cationic Systems

Han, In Suk, Kim, Chang Kon, Kim, Chan Kyung, Lee, Hai Whang, Lee, Ikchoon

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 82 KB

english, 2002

9

Dynamic Solvation of Aminophthalimides in Solvent Mixtures

Wetzler, Diana E., Chesta, Carlos, Fernández-Prini, Roberto, Aramendía, Pedro F.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 161 KB

english, 2002

10

DFT Calculations of 119 Sn Chemical Shifts Using Gauge-Including Atomic Orbitals and Their Interpretation via Group Properties

Vivas-Reyes, Ricardo, De Proft, Frank, Biesemans, Monique, Willem, Rudolph, Geerlings, Paul

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 65 KB

english, 2002

11

Efficient Electron Injection from Twisted Intramolecular Charge Transfer (TICT) State of 7-Diethyl amino coumarin 3-carboxylic Acid (D-1421) Dye to TiO 2 Nanoparticle

Ramakrishna, G., Ghosh, Hirendra N.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 113 KB

english, 2002

12

Quantum Mechanical Study of Stabilization of Germaneselones

Liao, Hsin-Yi, Su, Ming-Der, Chu, San-Yan

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 46 KB

english, 2002

13

Theoretical Calculations on the Torsion Potential of Peroxynitrite Anion in Aqueous Solution

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 135 KB

english, 2002

14

Cross-Correlated Relaxation with Anisotropic Reorientation and Small Amplitude Local Motions

Deschamps, Michaël

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 169 KB

english, 2002

15

Topological Characterization of Three-Electron-Bonded Radical Anions

Fourré, Isabelle, Silvi, Bernard, Sevin, Alain, Chevreau, Hilaire

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 319 KB

english, 2002

16

Theoretical Prediction on the Synthesis Reaction Pathway of N 6 ( C 2 h )

Wang, Li Jie, Warburton, Peter, Mezey, Paul G.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 94 KB

english, 2002

17

Theoretical Analysis of the CH Stretching Overtone Vibration of 1,2-Dichloroethylene

Takahashi, Kaito, Sugawara, Michihiko, Yabushita, Satoshi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 95 KB

english, 2002

18

Effect of NO, CO, and Cl 2 on Mixed-Mode Regimes in the Belousov−Zhabotinskyi Oscillating Chemical Reaction in a CSTR

Strizhak, Peter E., Khavrus, Vyacheslav O., Bar-Eli, Kedma

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 98 KB

english, 2002

19

Theoretical Study on the Unimolecular Dissociation of CH 3 SCH 3 and CH 3 SCH 2

Mousavipour, S. Hosein, Emad, Lila, Fakhraee, Sara

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 93 KB

english, 2002

20

Rhodium Dinitrogen Complexes Rh(NN) x ( x = 1−3) and Anions: Matrix Infrared Spectra and DFT Calculations

Wang, Xuefeng, Andrews, Lester

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 96 KB

english, 2002

21

Theoretical Study on the Weakly-Bound Complexes in the Reactions of Hydroxyl Radical with Saturated Hydrocarbons (Methane, Ethane, and Propane)

Hashimoto, Tomohiro, Iwata, Suehiro

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

22

Reaction Affinity and Entropy Production in a Model Glycolytic Oscillation

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 43 KB

english, 2002

23

The Equilibrium Geometry, Harmonic Vibrational Frequencies, and Estimated ab Initio Limit for the Barrier to Planarity of the Ethylene Radical Cation

Abrams, Micah L., Valeev, Edward F., Sherrill, C. David, Crawford, T. Daniel

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 50 KB

english, 2002

24

Intracluster Ion−Molecule Reactions of Ti + with Methanol Clusters

Koo, Young-Mi, Kim, Joung-Hoon, Choi, Young-Ku, Lee, Hong, Jung, Kwang-Woo

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 125 KB

english, 2002

25

Experimental and Theoretical Investigation of the Reactions between Glucose and Cu + in the Gas Phase

Alcamí, Manuel, Luna, Alberto, Mó, Otilia, Yáñez, M., Boutreau, Laurence, Tortajada, Jeanine

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 286 KB

english, 2002

26

Properties of the OH Adducts of Hydroxy-, Methyl-, Methoxy-, and Amino-Substituted Pyrimidines: Their Dehydration Reactions and End-Product Analysis

Luke, T. L., Jacob, T. A., Mohan, H., Destaillats, H., Manoj, V. M., Manoj, P., Mittal, J. P., Hoffmann, M. R., Aravindakumar, C. T.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 105 KB

english, 2002

27

Isolated Building Blocks of Photonic Materials: High-Resolution Spectroscopy of Excited States of Jet-Cooled Push-Pull Stilbenes

Rijkenberg, R. A., Bebelaar, D., Buma, W. J., Hofstraat, J. W.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 122 KB

english, 2002

28

Anion Photoelectron Spectroscopy of Vanadium-Doped Cobalt Clusters

Pramann, Axel, Koyasu, Kiichirou, Nakajima, Atsushi, Kaya, Koji

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 110 KB

english, 2002

29

A New Possibility of Generalized Two-Dimensional Correlation Spectroscopy: Hybrid Two-Dimensional Correlation Spectroscopy

Wu, Yuqing, Jiang, Jian-Hui, Ozaki, Yukihiro

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 292 KB

english, 2002

30

Molecular Dynamics Simulation of Nucleation in the Freezing of Molten Potassium Iodide Clusters

Huang, Jinfan, Bartell, Lawrence S.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 79 KB

english, 2002

31

Configuration Interaction Study of the Low-Lying Electronic States of GaBi

Chattopadhyay, Anjan, Chattopadhyaya, Surya, Das, Kalyan Kumar

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 152 KB

english, 2002

32

Iodine-Catalyzed R / S Isomerization of Allenic Carotenoids

He, Zhangfei, Gao, Guoqiang, Hand, Elli S., Kispert, Lowell D., Strand, Aase, Liaaen-Jensen, Synnφve

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 87 KB

english, 2002

33

CH 3 O Yield in the CH 3 + O 3 Reaction Using the LP/LIF Technique at Room Temperature

Albaladejo, José, Jiménez, Elena, Notario, Alberto, Cabañas, Beatriz, Martínez, Ernesto

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 102 KB

english, 2002

34

Theoretical Study on the Mechanism of the 1 CHF+N 2 O Reaction

Liu, Jian-jun, Ding, Yi-hong, Feng, Ji-kang, Sun, Chia-chung

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 332 KB

english, 2002

35

The Valence Bond Study for Benzenoid Hydrocarbons of Medium to Infinite Sizes

Gao, Yi, Liu, Chun-Gen, Jiang, Yuan-Sheng

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 67 KB

english, 2002

36

Cis-to-trans Isomerization of Spheroidene in the Triplet State as Detected by Time-Resolved Absorption Spectroscopy

Fujii, Ritsuko, Furuichi, Kentaro, Zhang, Jian-Ping, Nagae, Hiroyoshi, Hashimoto, Hideki, Koyama, Yasushi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 236 KB

english, 2002

37

Balance of the Deactivation Channels of the First Excited Singlet State of Phenols: Effect of Alkyl Substitution, Sterical Hindrance, and Solvent Polarity

Hermann, R., Mahalaxmi, G. R., Jochum, T., Naumov, S., Brede, O.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 138 KB

english, 2002

38

Fundamental Properties and Nature of CH··O Interactions in Crystals on the Basis of Experimental and Theoretical Charge Densities. The Case of 3,4-Bis(dimethylamino)-3-cyclobutene-1,2-dione (DMACB) Crystal

Gatti, Carlo, May, Emanuela, Destro, Riccardo, Cargnoni, Fausto

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 184 KB

english, 2002

39

Temperature Dependence of Carbonate Radical in NaHCO 3 and Na 2 CO 3 Solutions: Is the Radical a Single Anion?

Wu, Guozhong, Katsumura, Yosuke, Muroya, Yusa, Lin, Mingzhang, Morioka, Tomomi

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

40

Flexible Transition State Theory for a Variable Reaction Coordinate: Analytical Expressions and an Application

Robertson, Struan, Wagner, Albert F., Wardlaw, David M.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 318 KB

english, 2002

41

Oxygen Atom Reactions with Circumtrindene and Related Molecules: Analogues for the Oxidation of Nanotube Caps

Steckel, Janice A., Jordan, Kenneth D., Avouris, Phaedon

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 643 KB

english, 2002

42

ENDOR Study of 14 N Hyperfine and Quadrupole Couplings of N 2 D 4•+ Formed in Deuterated Li(N 2 H 5 )SO 4 Single Crystal

Itagaki, Yoshiteru, Sanderud, Audun, Sagstuen, Einar, Lund, Anders

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 79 KB

english, 2002

43

A Study of the Photolysis and OH-initiated Oxidation of Acrolein and trans -Crotonaldehyde

Magneron, I., Thévenet, R., Mellouki, A., Le Bras, G., Moortgat, G. K., Wirtz, K.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 138 KB

english, 2002

44

Rate Constants for the Gas-Phase Reactions of the Hydroxyl Radical with Isoprene, α- and β-Pinene, and Limonene as a Function of Temperature

Gill, Katherine J., Hites, Ronald A.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 94 KB

english, 2002

45

A Theoretical Analysis of Enantiomerization in Aromatic Amides

Campomanes, P., Menéndez, M. I., Sordo, T. L.

Journal:

Journal of Physical Chemistry A

Year:

2002

Language:

english

File:

PDF, 126 KB

english, 2002

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Tor version

Z-Library

Z-Library Since 2009 support@z-lib.do

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски