Ramon Carbo-Dorca
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Explore the profile of Ramon Carbo-Dorca including associated specialties, affiliations and a list of published articles.
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Articles
37
Citations
230
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Recent Articles
1.
Mohd Yusof N, Muda A, Pratama S, Carbo-Dorca R
Mol Divers
. 2021 Aug;
26(3):1609-1619.
PMID: 34338915
Amphetamine-type stimulants (ATS) drug analysis and identification are challenging and critical nowadays with the emergence production of new synthetic ATS drugs with sophisticated design compounds. In the present study, we...
2.
Carbo-Dorca R, Chakraborty T
J Comput Chem
. 2019 Aug;
40(30):2653-2663.
PMID: 31433068
In this study, several simple aspects associated with the periodic table (PT) of the elements are commented. First, the connection of the PT with the structure of a seven-dimensional Boolean...
3.
Andres J, Ayers P, Boto R, Carbo-Dorca R, Chermette H, Cioslowski J, et al.
J Comput Chem
. 2019 Jun;
40(26):2248-2283.
PMID: 31251411
The paper collects the answers of the authors to the following questions: Is the lack of precision in the definition of many chemical concepts one of the reasons for the...
4.
Carbo-Dorca R
J Mol Model
. 2018 Aug;
24(9):256.
PMID: 30155783
This paper defines the construction of a sequence of functions that might be used to geometrically characterize any GTO set employed in any molecular calculation. Such functions characterizing a basis...
5.
Besalu E, Carbo-Dorca R
J Chem Theory Comput
. 2015 Nov;
8(3):854-61.
PMID: 26593347
Mezey's holographic electronic density theorem is discussed from the point of view of stereographic projection techniques. Such a mathematical procedure is analyzed in depth from the point of view of...
6.
Carbo-Dorca R
J Comput Chem
. 2015 Aug;
37(1):78-82.
PMID: 26284569
A causal relation connecting aromaticity with the current aromaticity descriptors used in the literature and compliant with a quantum mechanics theoretical background is described.
7.
Carbo-Dorca R
J Comput Chem
. 2012 Dec;
34(9):766-79.
PMID: 23238931
A general algorithm implementing a useful variant of quantum quantitative structure-property relationships (QQSPR) theory is described. Based on quantum similarity framework and previous theoretical developments on the subject, the present...
8.
Besalu E, Carbo-Dorca R
J Mol Graph Model
. 2012 Dec;
39:39-49.
PMID: 23220280
Electrostatic molecular potentials (EMPs) are studied from two points of view. First, a softened EMP (SEMP) approach is proposed, consisting in the substitution of a positive point charge as the...
9.
The Fukui matrix: a simple approach to the analysis of the Fukui function and its positive character
Bultinck P, Clarisse D, Ayers P, Carbo-Dorca R
Phys Chem Chem Phys
. 2011 Feb;
13(13):6110-5.
PMID: 21350735
The Fukui matrix is introduced as the derivative of the one-electron reduced density matrix with respect to a change in the number of electrons under constant external potential. The Fukui...
10.
Carbo-Dorca R, Besalu E, Mercado L
J Comput Chem
. 2010 Sep;
32(4):582-99.
PMID: 20812322
This work describes a new procedure to obtain optimal molecular superposition based on quantum similarity (QS): the geometric-quantum similarity molecular superposition (GQSMS) algorithm. It has been inspired by the QS...