Quantum Chemical Investigation of Alkali Metal Clusters and Its Use for Interpretation and Predictions of Experiments in Cluster Research

Alkali Metal Clusters

Quantum Chemical Investigation of Absorption Spectra of Small Alkali Metal Clusters; Molecular Dimensionality Transition (2D–3D)

Physics and Chemistry of Finite Systems: From Clusters to Crystals ◽

10.1007/978-94-017-2645-0_119 ◽

1992 ◽

pp. 899-906

Author(s):

V. Bonačić-Koutecký ◽

J. Pittner ◽

C. Fuchs ◽

P. Fantucci ◽

J. Koutecký

Keyword(s):

Alkali Metal ◽

Absorption Spectra ◽

Quantum Chemical ◽

Metal Clusters ◽

Chemical Investigation ◽

Alkali Metal Clusters

Clustering Phenomena in Atoms and Nuclei - Springer Series in Nuclear and Particle Physics ◽

Quantum Chemical Interpretation of Absorption Spectra of Small Alkali Metal Clusters

10.1007/978-3-662-02827-8_4 ◽

1992 ◽

pp. 36-58

Author(s):

V. Bonačić-Koutecký ◽

P. Fantucci ◽

J. Koutecký

Keyword(s):

Alkali Metal ◽

Absorption Spectra ◽

Quantum Chemical ◽

Metal Clusters ◽

Alkali Metal Clusters

Preferential interaction of charged alkali metal ions (guest) within a narrow cavity of cyclic crown ethers (neutral host): A quantum chemical investigation

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2009.11.009 ◽

2010 ◽

Vol 941 (1-3) ◽

pp. 90-101 ◽

Cited By ~ 47

Author(s):

Sulagna De ◽

Anil Boda ◽

Sk. Musharaf Ali

Keyword(s):

Alkali Metal ◽

Metal Ions ◽

Crown Ethers ◽

Quantum Chemical ◽

Chemical Investigation ◽

Alkali Metal Ions ◽

Preferential Interaction

A quantum-chemical investigation of the interaction between alkali-metal cations and functional phosphate groups

Theoretical and Experimental Chemistry ◽

10.1007/bf01004357 ◽

1978 ◽

Vol 14 (5) ◽

pp. 517-520

Author(s):

E. D. Lavrinenko-Ometsinskaya ◽

L. A. Boyarinova ◽

V. V. Strelko

Keyword(s):

Alkali Metal ◽

Quantum Chemical ◽

Metal Cations ◽

Chemical Investigation ◽

Alkali Metal Cations ◽

Phosphate Groups

Conformational features of calix[4]arenes with alkali metal cations: A quantum chemical investigation with density functional theory

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.06.041 ◽

2005 ◽

Vol 732 (1-3) ◽

pp. 7-20 ◽

Cited By ~ 22

Author(s):

Alexander B. Rozhenko ◽

Wolfgang W. Schoeller ◽

Matthias C. Letzel ◽

Björn Decker ◽

Ceno Agena ◽

...

Keyword(s):

Density Functional Theory ◽

Alkali Metal ◽

Quantum Chemical ◽

Density Functional ◽

Metal Cations ◽

Chemical Investigation ◽

Alkali Metal Cations ◽

Functional Theory ◽

Quantum-chemical investigation of the interaction between alkali-metal and acetate ions

Theoretical and Experimental Chemistry ◽

10.1007/bf00519608 ◽

1978 ◽

Vol 13 (4) ◽

pp. 325-329

Author(s):

V. B. Volkov ◽

D. A. Zhogolev ◽

A. M. Kariev ◽

K. B. Yatsimirskii

Keyword(s):

Alkali Metal ◽

Quantum Chemical ◽

Chemical Investigation ◽

QUANTUM-CHEMICAL INVESTIGATION OF THE COMPLEXATION OF TITANOCENE DICHLORIDE WITH C20 AND M+@C20 (M+ = Li, Na, K) CAGES

Journal of Structural Chemistry ◽

10.1134/s0022476620110025 ◽

2020 ◽

Vol 61 (11) ◽

pp. 1681-1690

Author(s):

R. Ghiasi ◽

M. Rahimi ◽

R. Ahmadi

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Titanocene Dichloride ◽

Raman spectroscopic and quantum chemical investigation of the effects of trimethylamine N‐oxide on hydrated guanidinium and hydrogen‐bonded water networks

Journal of Raman Spectroscopy ◽

10.1002/jrs.6061 ◽

2021 ◽

Author(s):

Genevieve A. Verville ◽

Mary Hannah Byrd ◽

Andrew Kamischke ◽

Shelly A. Smith ◽

David H. Magers ◽

...

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Water Networks ◽

Raman Spectroscopic ◽

Hydrogen Bonded

Photo-redox coupled Co-pincer complexes for efficient decarbonylation of aryl carbonyls: A quantum chemical investigation

Molecular Catalysis ◽

10.1016/j.mcat.2021.111553 ◽

2021 ◽

Vol 507 ◽

pp. 111553

Author(s):

Animesh Chowdhury ◽

Santu Biswas ◽

Sourav Ghoshal ◽

Anup Pramanik ◽

Pranab Sarkar

Keyword(s):

Quantum Chemical ◽

Chemical Investigation ◽

Pincer Complexes ◽

Quantum Chemical Investigation of Perchloric Acid Decomposition Releasing Oxygen

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.1c04433 ◽

2021 ◽

Author(s):

Tanusree Chatterjee ◽

Stefan T. Thynell

Keyword(s):

Perchloric Acid ◽

Quantum Chemical ◽

Chemical Investigation ◽

Acid Decomposition ◽