σ–σ and σ–π pnicogen bonds in complexes H2XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH3, and H (English)
- New search for: Del Bene, Janet E.
- New search for: Del Bene, Janet E.
- New search for: Alkorta, Ibon
- New search for: Elguero, José
In:
Theoretical chemistry accounts
;
133
, 4
; 1-9
;
2014
-
ISSN:
- Article (Journal) / Print
-
Title:σ–σ and σ–π pnicogen bonds in complexes H2XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH3, and H
-
Contributors:
-
Published in:Theoretical chemistry accounts ; 133, 4 ; 1-9
-
Publisher:
- New search for: Springer
-
Place of publication:Berlin
-
Publication date:2014
-
ISSN:
-
ZDBID:
-
Type of media:Article (Journal)
-
Type of material:Print
-
Language:English
-
Keywords:
-
Source:
Table of contents – Volume 133, Issue 4
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
-
A new methodology for dealing with time-dependent quantities in anharmonic molecules I: theoryToutounji, Mohamad et al. | 2014
- 1
-
Theoretical and computational investigation of meta-phenylene as ferromagnetic coupler in nitronyl nitroxide diradicalsPal, Arun K. / Mañeru, Daniel Reta / Latif, Iqbal A. / Moreira, Ibério de P. R. / Illas, Francesc / Datta, Sambhu N. et al. | 2014
- 1
-
Unimolecular and hydrolysis channels for the detachment of water from microsolvated alkaline earth dication (Mg2+, Ca2+, Sr2+, Ba2+) clustersMiliordos, Evangelos / Xantheas, Sotiris S. et al. | 2014
- 1
-
Computational design of the magnetism-tunable oligobenzylic carbanion complexesYang, Hongfang / Zhao, Jing / Song, Xinyu / Bu, Yuxiang et al. | 2014
- 1
-
Development of ABEEMσπ polarizable force field for oxidized adenine base pairs: investigation of the interaction and mutagenic mechanismLiu, Cui / Wang, Yang / Zhao, Dong-xia / Gong, Li-dong / Yang, Zhong-zhi et al. | 2014
- 1
-
A computational study of the nonlinear optical properties of carbazole derivatives: theory refines experimentGarza, Alejandro J. / Osman, Osman Ibrahim / Wazzan, Nuha Ahmed / Khan, Sher Bahadar / Asiri, Abdullah Mohamed / Scuseria, Gustavo E. et al. | 2014
- 1
-
The Wuppertal multireference configuration interaction (MRD-CI) program systemBuenker, Robert J. / Phillips, Robin A. / Krebs, Stefan / Liebermann, Heinz-Peter / Alekseyev, Aleksey B. / Funke, Peter et al. | 2014
- 1
-
Efficient evaluation of exchange integrals by means of Fourier transform of the 1/r operator and its numerical quadratureČársky, Petr / Čurík, Roman et al. | 2014
- 1
-
The infrared spectra of C96H25 compared with that of C96H24Bauschlicher, Charles W. Jr. / Ricca, Alessandra et al. | 2014
- 1
-
Molecular orbital interpretation of the metal–metal multiple bonding in coaxial dibenzene dimetal compounds of iron, manganese, and chromiumWang, Hui / Die, Dong / Wang, Hongyan / Xie, Yaoming / King, R. Bruce / Schaefer, Henry F. III et al. | 2014
- 1
-
Mechanism for the decomposition of 5-aza-2′-deoxycytidine: a theoretical study using Monte Carlo simulation plus local microhydration modelGao, Jie Ying / Xue, Ying / Kim, Chan Kyung et al. | 2014
- 1
-
Simulating Cl K-edge X-ray absorption spectroscopy in MCl6 2− (M = U, Np, Pu) complexes and UOCl5 − using time-dependent density functional theoryGovind, Niranjan / Jong, Wibe A. et al. | 2014
- 1
-
σ–σ and σ–π pnicogen bonds in complexes H2XP:PCX, for X = F, Cl, OH, NC, CN, CCH, CH3, and HDel Bene, Janet E. / Alkorta, Ibon / Elguero, José et al. | 2014
- 1
-
A Markov chain approach to simulate Atomic Layer Deposition chemistry and transport inside nanostructured substratesYanguas-Gil, Angel / Elam, Jeffrey W. et al. | 2014