Advanced search
Start date
Betweenand

Roy Edward Bruns

CV Lattes


Universidade Estadual de Campinas (UNICAMP). Instituto de Química (IQ)  (Institutional affiliation for the last research proposal)
Birthplace: Estados Unidos

doctorate at Química from Oklahoma State University (1968). Has experience in Chemistry, focusing on Spectroscopy, acting on the following subjects: infrared intensities, factorial design, dipole moment derivatives, principal component analysis and atomic polar tensors. (Source: Lattes Curriculum)

Research grants
Scholarships in Brazil
Scholarships abroad
FAPESP support in numbers * Updated April 04, 2020
Total / Available in English
Most frequent collaborators in research granted by FAPESP
Contact researcher

Use this Research Supported by FAPESP (BV/FAPESP) channel only to send messages referring to FAPESP-funded scientific projects.


 

 

 

 

Keywords used by the researcher
Scientific publications resulting from Research Grants and Scholarships under the grantee's responsibility (24)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

Publications20
Citations92
Cit./Article4.6
Data from Web of Science

GOMES, THIAGO C. F.; DA SILVA, JR., JOAO VICOZO; VIDAL, LUCIANO N.; VAZQUEZ, PEDRO A. M.; BRUNS, ROY E.. ChelpG and QTAIM atomic charge and dipole models for the infrared fundamental intensities of the fluorochloromethanes. THEORETICAL CHEMISTRY ACCOUNTS, v. 121, n. 3-4, p. 173-179, . Web of Science Citations: 17.

SILVA, ARNALDO F.; POPELIER, PAUL L. A.. MP2-IQA: upscaling the analysis of topologically partitioned electron correlation. Journal of Molecular Modeling, v. 24, n. 8, . Web of Science Citations: 2. (15/22247-3, 14/21241-9)

DUARTE, LEONARDO J.; BRUNS, ROY E.. Atomic Polarizations, Not Charges, Determine CH Out-of-Plane Bending Intensities of Benzene Molecules. Journal of Physical Chemistry A, v. 122, n. 51, p. 9833-9841, . Web of Science Citations: 1. (18/08861-9, 17/22741-3, 09/09678-4)

SILVA, ARNALDO F.; DUARTE, LEONARDO J.; POPELIER, PAUL L. A.. Contributions of IQA electron correlation in understanding the chemical bond and non-covalent interactions. STRUCTURAL CHEMISTRY, v. 31, n. 2, . Web of Science Citations: 0. (14/21241-9, 17/22741-3, 18/24844-7)

DUARTE, LEONARDO J.; RICHTER, WAGNER E.; SILVA, ARNALDO F.; BRUNS, ROY E.. Quantum chemical intensity determinations of overlapped gas phase infrared bands. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 230, . Web of Science Citations: 0. (18/08861-9, 18/24844-7)

DUARTE, LEONARDO J.; SILVA, ARNALDO F.; RICHTER, WAGNER E.; BRUNS, ROY E.. Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point Charges. Journal of Physical Chemistry A, v. 123, n. 30, p. 6482-6490, . Web of Science Citations: 0. (18/08861-9, 14/21241-9, 17/22741-3)

VINCENT, MARK A.; SILVA, ARNALDO F.; MCDONAGH, JAMES L.; POPELIER, PAUL L. A.. The effects of higher orders of perturbation theory on the correlation energy of atoms and bonds in molecules. International Journal of Quantum Chemistry, v. 118, n. 8, . Web of Science Citations: 7. (15/22247-3, 14/21241-9)

DUARTE, LEONARDO J.; SILVA, ARNALDO F.; RICHTER, WAGNER E.; BRUNS, ROY E.. FTIR and dispersive gas phase fundamental infrared intensities of the fluorochloromethanes: Comparison with QCISD/cc-pVTZ results. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 205, p. 269-275, . Web of Science Citations: 2. (14/21241-9, 16/07411-4)

RICHTER, WAGNER E.; BRUNS, ROY E.. Revisiting the integrated infrared intensities and atomic polar tensors of the boron trihalides. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 164, p. 123-127, . Web of Science Citations: 0. (09/09678-4)

SILVA, ARNALDO F.; RICHTER, WAGNER E.; BASSI, ADALBERTO B. M. S.; BRUNS, ROY E.. Dynamic atomic contributions to infrared intensities of fundamental bands. Physical Chemistry Chemical Physics, v. 17, n. 45, p. 30378-30388, . Web of Science Citations: 8. (14/21241-9, 09/09678-4)

VINCENT, MARK A.; SILVA, ARNALDO F.; MCDONAGH, JAMES L.; POPELIER, PAUL L. A.. The effects of higher orders of perturbation theory on the correlation energy of atoms and bonds in molecules. International Journal of Quantum Chemistry, v. 118, n. 8, . Web of Science Citations: 7. (15/22247-3, 14/21241-9)

DUARTE, LEONARDO J.; RICHTER, WAGNER E.; SILVA, ARNALDO F.; BRUNS, ROY E.. Quantum Theory of Atoms in Molecules Charge-Charge Transfer-Dipolar Polarization Classification of Infrared Intensities. Journal of Physical Chemistry A, v. 121, n. 42, p. 8115-8123, . Web of Science Citations: 2. (14/21241-9, 16/07411-4)

SILVA, ARNALDO F.; DUARTE, LEONARDO J.; POPELIER, PAUL L. A.. Contributions of IQA electron correlation in understanding the chemical bond and non-covalent interactions. STRUCTURAL CHEMISTRY, v. 31, n. 2, . Web of Science Citations: 0. (14/21241-9, 17/22741-3, 18/24844-7)

DUARTE, LEONARDO J.; RICHTER, WAGNER E.; SILVA, ARNALDO F.; BRUNS, ROY E.. Quantum chemical intensity determinations of overlapped gas phase infrared bands. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 230, . Web of Science Citations: 0. (18/08861-9, 18/24844-7)

BORTOLOTI‚ J.A.; BORGES‚ C.N.; BRUNS‚ R.E.. Split-plot designs and normal probability graphs for the optimization of chemical systems. Analytica Chimica Acta, v. 544, n. 1, p. 206-212, .

MCDONAGH, JAMES L.; SILVA, ARNALDO F.; VINCENT, MARK A.; POPELIER, PAUL L. A.. Machine Learning of Dynamic Electron Correlation Energies from Topological Atoms. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 14, n. 1, p. 216-224, . Web of Science Citations: 7. (14/21241-9, 15/22247-3)

SILVA, ARNALDO F.; VINCENT, MARK A.; MCDONAGH, JAMES L.; POPELIER, PAUL L. A.. The Transferability of Topologically Partitioned Electron Correlation Energies in Water Clusters. ChemPhysChem, v. 18, n. 23, p. 3360-3368, . Web of Science Citations: 8. (15/22247-3, 14/21241-9)

DUARTE, LEONARDO J.; BRUNS, ROY E.. FTIR and dispersive gas phase absolute infrared intensities of hydrocarbon fundamental bands. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 214, p. 1-6, . Web of Science Citations: 0. (18/08861-9, 17/22741-3, 09/09678-4)

VINCENT, MARK A.; SILVA, ARNALDO F.; POPELIER, PAUL L. A.. Atomic Partitioning of the MPn (n=2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic Potential Integral Approach. Journal of Computational Chemistry, v. 40, n. 32, . Web of Science Citations: 0. (14/21241-9)

JOÃO ALEXANDRE BORTOLOTI; ROY EDWARD BRUNS. Conseqüências da análise incorreta de experimentos blocados. Química Nova, v. 30, n. 2, p. -, .

SILVA, ARNALDO F.; DUARTE, LEONARDO J.; BRUNS, ROY E.. QTAIM-Based Characteristic Group Infrared Intensities of Amino Acids and Their Transference to Peptides. Journal of Physical Chemistry A, v. 120, n. 42, p. 8387-8399, . Web of Science Citations: 2. (14/21241-9, 09/09678-4, 16/07411-4)

RICHTER, WAGNER E.; SILVA, ARNALDO F.; VIDAL, LUCIANO N.; BRUNS, ROY E.. Characteristic infrared intensities of carbonyl stretching vibrations. Physical Chemistry Chemical Physics, v. 18, n. 26, p. 17575-17585, . Web of Science Citations: 7. (14/21241-9, 09/09678-4)

LUCIANO N. VIDAL; PEDRO A. M. VAZQUEZ. Cálculo ab initio de intensidades Raman dinâmicas utilizando a teoria da resposta linear. Química Nova, v. 26, n. 4, p. 507-511, .

THIAGO C. F. GOMES; JOÃO VIÇOZO DA SILVA JR.; LUCIANO N. VIDAL; PEDRO A. M. VAZQUEZ; ROY E. BRUNS. Implementação computacional do modelo carga-fluxo de carga-fluxo de dipolo para cálculo e interpretação das intensidades do espectro infravermelho. Química Nova, v. 31, n. 7, p. 1750-1754, .

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

FARIA, Sergio Henrique Dias Marques. Utilização do modelo CCFDF na interpretação das intensidades fundamentais das moleculas 'X IND. 2 CY' e sua aplicação na regra da soma. Dissertação (Mestrado) -  Instituto de Química.  Universidade Estadual de Campinas (UNICAMP).  (05/52356-7

BORTOLOTI, João Alexandre. Otimização de processos contendo variaveis de mistura pelo metodo "split-plot". Tese (Doutorado) -  Instituto de Química.  Universidade Estadual de Campinas (UNICAMP).  (00/14261-0

TALHAVINI, Idelazil Cristina Do Nascimento. Estudo de metodos multivariados para analise e calibração de espectros. Tese (Doutorado) -  Instituto de Quimica.  Universidade Estadual de Campinas (UNICAMP).  (96/10030-7

HAIDUKE, Roberto Luiz Andrade. Investigação de energias de ionização e intensidades vibracionais (IV) utilizando o modelo potencial simples. Tese (Doutorado) -  Instituto de Quimica.  Universidade Estadual de Campinas.  (98/13814-4

HAIDUKE, Roberto Luiz Andrade. O modelo do potencial simples como criterio para avaliação da qualidade de cargas atomicas. Dissertação (Mestrado) -  Instituto de Química.  Universidade Estadual de Campinas.  (97/07423-0

GUADAGNINI, Paulo Henrique. Estudos teoricos de modelos de eletronegatividade para intensidades vibracionais. Dissertação (Mestrado) -  Instituto de Quimica.  Universidade Estadual de Campinas (UNICAMP).  (92/03397-0

BREITKREITZ, Márcia Cristina. Otimização simultanea de variaveis de processo e mistura em cromatografia liquida de alta eficiencia. Dissertação (Mestrado) -  Instituto de Química.  Universidade Estadual de Campinas (UNICAMP).  (04/03934-5

FILHO, Arnaldo Fernandes da Silva. Aplicação do modelo QTAIM/CCFDF para o estudo de estruturas eletrônicas dos clorofluorometanos. Dissertação (Mestrado) -  Instituto de Química.  Universidade Estadual de Campinas (UNICAMP).  (09/02252-1

Please report errors in researcher information by writing to: cdi@fapesp.br.
X

Report errors in this page


Error details: