Evolution of cluster models in quantum chemical analysis of spectroscopic characteristics of surface structures on oxides at the IOC RAS

Spectroscopic Characteristics

Quantum-chemical analysis of the cluster models of coordination of imidazoline nitroxides on the silica surface

Russian Chemical Bulletin ◽

10.1007/bf02503471 ◽

1998 ◽

Vol 47 (6) ◽

pp. 1048-1053 ◽

Cited By ~ 1

Author(s):

N. D. Chuvylkin ◽

A. M. Tokmachev ◽

A. V. Fionov ◽

E. V. Lunina

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Silica Surface ◽

Cluster Models ◽

Cluster models in the quantum-chemical analysis of coordination of nitroxide probes to Lewis acid sites on the surface of Al2O3

Russian Chemical Bulletin ◽

10.1007/bf02495110 ◽

1997 ◽

Vol 46 (10) ◽

pp. 1649-1662 ◽

Cited By ~ 4

Author(s):

N. D. Chuvylkin ◽

A. M. Tokmachev ◽

A. V. Fionov ◽

E. V. Lunina

Keyword(s):

Chemical Analysis ◽

Lewis Acid ◽

Quantum Chemical ◽

Acid Sites ◽

Cluster Models ◽

Lewis Acid Sites ◽

Cluster models in the quantum-chemical analysis of the coordination of imidazoline nitroxides on the surface of silica gel

Mendeleev Communications ◽

10.1070/mc1998v008n03abeh000950 ◽

1998 ◽

Vol 8 (3) ◽

pp. 90-92

Author(s):

Nikolai D. Chuvylkin ◽

Andrei M. Tokmachev ◽

Aleksandr V. Fionov ◽

Elena V. Lunina

Keyword(s):

Chemical Analysis ◽

Silica Gel ◽

Quantum Chemical ◽

Cluster Models ◽

8th International Symposium on Nonequilibrium Processes, Plasma, Combustion, and Atmospheric Phenomena held Том. Volum 1. Kinetics and plasma ◽

QUANTUM CHEMICAL ANALYSIS OF STRUCTURE AND PROPERTIES OF (ALB2)N AND (MGB2)N CLUSTERS

10.30826/nepcap2018-1-24 ◽

2018 ◽

Author(s):

B. I. LOUKHOVITSKI ◽

◽

A. S. SHARIPOV ◽

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Structure And Properties ◽

Quantum Chemical Analysis of the Unfolding of a Penta-alanyl 310-Helix Initiated by HO•, HO2•and O2–•

The Journal of Physical Chemistry B ◽

10.1021/jp202345p ◽

2011 ◽

Vol 115 (24) ◽

pp. 8014-8023 ◽

Cited By ~ 17

Author(s):

Michael C. Owen ◽

Bela Viskolcz ◽

Imre G. Csizmadia

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

310 Helix

Quantum chemical analysis of the interactions of transition state analogs with leucine aminopeptidase

International Journal of Quantum Chemistry ◽

10.1002/qua.1335 ◽

2001 ◽

Vol 84 (2) ◽

pp. 302-310 ◽

Cited By ~ 6

Author(s):

J. Grembecka ◽

W. A. Sokalski ◽

P. Kafarski

Keyword(s):

Chemical Analysis ◽

Transition State ◽

Quantum Chemical ◽

Leucine Aminopeptidase ◽

Transition State Analogs

A First-Principles Quantum Chemical Analysis of the Factors Controlling Ruffling Deformations of Porphyrins: Insights from the Molecular Structures and Potential Energy Surfaces of Silicon, Phosphorus, Germanium, and Arsenic Porphyrins and of a Peroxidase Compound I Model

Journal of the American Chemical Society ◽

10.1021/ja992457i ◽

1999 ◽

Vol 121 (51) ◽

pp. 12154-12160 ◽

Cited By ~ 45

Author(s):

Torgil Vangberg ◽

Abhik Ghosh

Keyword(s):

Chemical Analysis ◽

Potential Energy ◽

First Principles ◽

Quantum Chemical ◽

Potential Energy Surfaces ◽

Molecular Structures ◽

Compound I ◽

Energy Surfaces

Structure determination and quantum chemical analysis of chalcone derivatives

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.11.048 ◽

2019 ◽

Vol 1179 ◽

pp. 568-575 ◽

Cited By ~ 6

Author(s):

G. Maragatham ◽

S. Selvarani ◽

P. Rajakumar ◽

S. Lakshmi

Keyword(s):

Chemical Analysis ◽

Structure Determination ◽

Quantum Chemical ◽

Chalcone Derivatives

Quantum chemical analysis of the deprotonation of sulfonic acid in a hydrocarbon membrane model at low hydration levels

Solid State Ionics ◽

10.1016/j.ssi.2015.03.005 ◽

2015 ◽

Vol 274 ◽

pp. 94-99 ◽

Cited By ~ 6

Author(s):

Hironori Sakai ◽

Takashi Tokumasu

Keyword(s):

Chemical Analysis ◽

Quantum Chemical ◽

Sulfonic Acid ◽

Membrane Model ◽

A quantum chemical analysis of the intermolecular interactions between the molecules of the typically aprotic, dipolar acetone

Chemical Physics Letters ◽

10.1016/s0009-2614(97)00736-7 ◽

1997 ◽

Vol 275 (1-2) ◽

pp. 35-39 ◽

Cited By ~ 16

Author(s):

László Turi

Keyword(s):

Chemical Analysis ◽

Intermolecular Interactions ◽

Quantum Chemical ◽