Arrows of time and fundamental symmetries in chemical physics (Englisch)
- Neue Suche nach: Brändas, Erkki J.
- Neue Suche nach: Brändas, Erkki J.
In:
International Journal of Quantum Chemistry
;
113
, 3
;
173-184
;
2013
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:Arrows of time and fundamental symmetries in chemical physics
-
Beteiligte:Brändas, Erkki J. ( Autor:in )
-
Erschienen in:International Journal of Quantum Chemistry ; 113, 3 ; 173-184
-
Verlag:
- Neue Suche nach: Wiley Subscription Services, Inc., A Wiley Company
-
Erscheinungsdatum:05.02.2013
-
Format / Umfang:12 pages
-
ISSN:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Elektronische Ressource
-
Sprache:Englisch
-
Schlagwörter:
-
Datenquelle:
Inhaltsverzeichnis – Band 113, Ausgabe 3
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 171
-
Special Issue: Seventh congress of the international society for theoretical chemical physicsNakai, Hiromi / Yoshizawa, Kazunari / Ando, Koji / Nakajima, Takahito / Brändas, Erkki J. et al. | 2013
- 173
-
Arrows of time and fundamental symmetries in chemical physicsBrändas, Erkki J. et al. | 2013
- 185
-
Composite particles in quantum chemistry: From two‐electron bonds to cold atomsZoboki, Tamás / Jeszenszki, Péter / Surján, Péeter R. et al. | 2013
- 190
-
Study of simulation method of time evolution in rigged QEDIchikawa, Kazuhide / Fukuda, Masahiro / Tachibana, Akitomo et al. | 2013
- 203
-
Expansion of a wave function in a Gaussian basis. I. Local versus global approximationKutzelnigg, Werner et al. | 2013
- 218
-
Divide‐and‐conquer‐based symmetry adapted cluster method: Synergistic effect of subsystem fragmentation and configuration selectionYoshikawa, Takeshi / Kobayashi, Masato / Nakai, Hiromi et al. | 2013
- 224
-
Pair natural orbitals in explicitly correlated second‐order møller–plesset theoryTew, David P. / Hättig, Christof et al. | 2013
- 230
-
Unitary perturbation theory applied to multiconfigurational reference functionsNagy, Péter R. / Szabados, Ágnes et al. | 2013
- 239
-
Accelerating convergence in the antisymmetric product of strongly orthogonal geminals methodTarumi, Moto / Kobayashi, Masato / Nakai, Hiromi et al. | 2013
- 245
-
Linearity condition for orbital energies in density functional theory (IV): Determination of range‐determining parameterImamura, Yutaka / Kobayashi, Rie / Nakai, Hiromi et al. | 2013
- 252
-
Functional dependence of excitation energy for pentacene/C60 model complex in the nonempirically tuned long‐range corrected density functional theoryMinami, Takuya / Ito, Soichi / Nakano, Masayoshi et al. | 2013
- 257
-
Self‐consistent field treatment and analytical energy gradient of local response dispersion methodIkabata, Yasuhiro / Sato, Takeshi / Nakai, Hiromi et al. | 2013
- 263
-
TDDFT study on quantization behaviors of nonadiabatic couplings in polyatomic systemsHu, Chunping / Komakura, Ryo / Li, Zhengcao / Watanabe, Kazuyuki et al. | 2013
- 272
-
Influences of dispersion and long‐range corrections on molecular structures of three types of lithium phthalocyanine dimerSumimoto, Michinori / Kawashima, Yukio / Yokogawa, Daisuke / Hori, Kenji / Fujimoto, Hitoshi et al. | 2013
- 277
-
Quantum Monte Carlo simulation of carbon monoxide reactivity when adsorbed at metal and oxide catalyst surfaces: Trial wave‐functions with exponential type basis and quasi‐exact three‐body correlationHoggan, Philip E. et al. | 2013
- 286
-
Basis set limit computation of dynamic polarizability at near‐resonance regionKato, Tetsuya / Yokoi, Yukina / Sekino, Hideo et al. | 2013
- 290
-
Combination of approximate spin‐projection and spin‐restricted calculations based on ONIOM method for geometry optimization of large biradical systemsKitagawa, Y. / Yasuda, N. / Hatake, H. / Saito, T. / Kataoka, Y. / Matsui, T. / Kawakami, T. / Yamanaka, S. / Okumura, M. / Yamaguch, K. et al. | 2013
- 296
-
Conical intersection structure and dynamics for a model protonated schiff base photoisomerization in solutionMalhado, João Pedro / Spezia, Riccardo / Hynes, James T. et al. | 2013
- 306
-
Path integral approach to the calculation of reaction rates for a reaction coordinate coupled to a dual harmonic bathYang, Yonggang / Kühn, Oliver et al. | 2013
- 316
-
Coherent quantum processes in thermal and nonequilibrium environmentsMartens, Craig C. et al. | 2013
- 326
-
External source method for Kubo‐transformed quantum correlation functionsHorikoshi, Atsushi et al. | 2013
- 330
-
Molecular dynamics simulation for infrared spectroscopy with intramolecular forces from electronic properties of on‐the‐fly quantum chemical calculationsUeno, Seiji / Tanimura, Yoshitaka / Ten‐no, Seiichiro et al. | 2013
- 336
-
Linear response function approach for the boundary problem of QM/MM methodsUeda, Koki / Yamanaka, Shusuke / Nakata, Kazuto / Ehara, Masahiro / Okumura, Mitsutaka / Yamaguchi, Kizashi / Nakamura, Haruki et al. | 2013
- 342
-
Calculation of the electron transfer coupling matrix element in diabatic reactionsShoji, Mitsuo / Hanaoka, Kyohei / Sato, Akimasa / Kondo, Daiki / Yang, Moon Young / Kamiya, Katsumasa / Shiraishi, Kenji et al. | 2013
- 348
-
Quantal cumulant mechanics and dynamics for multidimensional quantum many‐body clustersShigeta, Yasuteru / Inui, Tomoya / Baba, Takeshi / Okuno, Katsuki / Kuwabara, Hiroyuki / Kishi, Ryohei / Nakano, Masayoshi et al. | 2013
- 356
-
Semiquantal molecular dynamics simulations of hydrogen‐bond dynamics in liquid water using spherical gaussian wave packetsOno, Junichi / Hyeon‐Deuk, Kim / Ando, Koji et al. | 2013
- 366
-
Potential energy surfaces and properties of ICN− and ICNMcCoy, Anne B. et al. | 2013
- 375
-
Theoretical study on angular momentum polarization parameters, branching ratios, and anisotropy parameters of chlorine atoms from Photodissociation of Iodine MonochlorideMatsuoka, Takahide / Oonishi, Sayo / Yabushita, Satoshi et al. | 2013
- 382
-
Vibrational enhancement of positron affinities for nonpolar carbon dioxide and carbon disulfide molecules: Multi‐component molecular orbital study for vibrational excited statesKoyanagi, Katsuhiko / Kita, Yukiumi / Tachikawa, Masanori et al. | 2013
- 386
-
Atoms‐in‐molecules analysis of the effect of intermolecular interactions on dielectric properties in hydrogen‐bonded material 5‐bromo‐9‐hydroxyphenalenoneOtaki, Hiroki / Ando, Koji et al. | 2013
- i
-
Cover Image, Volume 113, Issue 3| 2013
- iii
-
Inside Cover, Volume 113, Issue 3| 2013