SIZE EFFECTS AND THE ROLE OF NONADDITIVE FORCES IN NEUTRAL AND ANIONIC SILVER-CLUSTER STABILITY

1996 ◽  
Vol 03 (01) ◽  
pp. 235-239 ◽  
Author(s):  
I.G. KAPLAN ◽  
R. SANTAMARÍA ◽  
O. NOVARO
Keyword(s):  
Size Effects ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Silver Cluster ◽  
Chemical Study ◽  
Silver Clusters ◽  
Vertical Ionization Potential ◽  
Cluster Stability ◽  
Vertical Detachment Energy

The precise quantum-chemical study of neutral and anionic silver clusters manifests the pronounced size effect for the vertical ionization potential (VIP), vertical detachment energy (VDE), and atomic detachment energy (ε1). The additive and nonadditive contributions to the binding energy of clusters are calculated and their role in the cluster stability is discussed.

The role of arsenic in the hydrolysis and DNA metalation processes in an arsenous acid–platinum(ii) anticancer complex

2017 ◽  
Vol 19 (2) ◽  
pp. 1328-1334 ◽  
Author(s):  
T. Marino ◽  
A. Parise ◽  
N. Russo
Keyword(s):  
Anticancer Drugs ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Purine Base

A DFT quantum chemical study on the aquation process of [Pt(μ-NHC(CH3)O)2ClAs(OH)2] arsenoplatinum compound and DNA purine base metalation by its aquated product has been undertaken to examine the differences and similarities with previously proposed platinum containing anticancer drugs.

Dominant Role of C−Br···N Halogen Bond in Molecular Self-Organization. Crystallographic and Quantum-Chemical Study of Schiff-Base-Containing Triazoles

2004 ◽  
Vol 108 (33) ◽  
pp. 12327-12332 ◽  
Author(s):  
Sławomir Berski ◽  
Zbigniew Ciunik ◽  
Krzysztof Drabent ◽  
Zdzisław Latajka ◽  
Jarosław Panek
Keyword(s):  
Schiff Base ◽  
Quantum Chemical ◽  
Halogen Bond ◽  
Dominant Role ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Self Organization

Quantum-chemical study of spiro[indoline-2,2′-[2H]-chromenes] and their complexes with a silver cluster

2017 ◽  
Vol 474 (1) ◽  
pp. 121-125 ◽  
Author(s):  
A. A. Starikova ◽  
N. D. Strekal ◽  
B. S. Lukyanov ◽  
I. G. Motevich ◽  
D. S. Grekova ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Silver Cluster ◽  
Chemical Study
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