A quantum chemical analysis of dependence of the protolytic properties of silica primary particles on their composition and spatial structure

Surface ◽

10.15407/surface.2017.09.028 ◽

2017 ◽

Vol 9(24) ◽

pp. 28-35 ◽

Cited By ~ 2

Author(s):

A. A. Kravchenko ◽

◽

E. M. Demianenko ◽

O. V. Filonenko ◽

A. G. Grebenyuk ◽

...

Keyword(s):

Chemical Analysis ◽

Spatial Structure ◽

Quantum Chemical ◽

Quantum Chemical Analysis ◽

Primary Particles ◽

Protolytic Properties

Download Full-text

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

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

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

Download Full-text

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 ◽

Quantum Chemical Analysis ◽

310 Helix

Download Full-text

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 ◽

Quantum Chemical Analysis ◽

Transition State Analogs

Download Full-text

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 ◽

Quantum Chemical Analysis ◽

Energy Surfaces

Download Full-text

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 ◽

Quantum Chemical Analysis ◽

Chalcone Derivatives

Download Full-text

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 ◽

Quantum Chemical Analysis

Download Full-text

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 ◽

Quantum Chemical Analysis

Download Full-text

Anharmonicity of excited-state potential surfaces: quantum chemical analysis and resonance Raman intensities

Journal of Raman Spectroscopy ◽

10.1002/(sici)1097-4555(199806)29:6<439::aid-jrs264>3.0.co;2-p ◽

1998 ◽

Vol 29 (6) ◽

pp. 439-445 ◽

Cited By ~ 4

Author(s):

A. M. Brouwer ◽

C. Svendsen ◽

O. S. Mortensen ◽

R. Wilbrandt

Keyword(s):

Excited State ◽

Chemical Analysis ◽

Quantum Chemical ◽

Resonance Raman ◽

Quantum Chemical Analysis ◽

Potential Surfaces ◽

State Potential ◽

Resonance Raman Intensities ◽

Raman Intensities

Download Full-text

A combined experimental and quantum chemical analysis to explore the nonlinear optical activity of guanidinium l -monohydrogen tartrate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2015.03.008 ◽

2015 ◽

Vol 145 ◽

pp. 417-424 ◽

Cited By ~ 4

Author(s):

G. Saravanakumar ◽

P. Vivek ◽

P. Murugakoothan

Keyword(s):

Chemical Analysis ◽

Optical Activity ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Quantum Chemical Analysis

Download Full-text

Quantum chemical analysis for the formation of glycine in the interstellar medium

Research in Astronomy and Astrophysics ◽

10.1088/1674-4527/13/8/003 ◽

2013 ◽

Vol 13 (8) ◽

pp. 912-920 ◽

Cited By ~ 7

Author(s):

Amresh Singh ◽

Alka Misra ◽

Poonam Tandon

Keyword(s):

Chemical Analysis ◽

Interstellar Medium ◽

Quantum Chemical ◽

Quantum Chemical Analysis

Download Full-text