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Refinado por: Nome da Publicação: Physical Chemistry Chemical Physics remover
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1
Computer simulation of liquid tetramethylurea and its aqueous solution
Computer simulation of liquid tetramethylurea and its aqueous solution
Material Type:
Artigo 		Adicionar ao Meu Espaço

Computer simulation of liquid tetramethylurea and its aqueous solution

Paulo Belletato Luiz Carlos Gomide Freitas; Elizabeth Pinheiro Gomes Arêas; Paulo Sérgio Santos

Physical Chemistry Chemical Physics London v. 1, n. 20, p. 4769-4776, 1999

London 1999

Item não circula. Consulte sua biblioteca.(Acessar)

2
Molecular dynamics simulation of the squarate anion in acetonitrile solution
Molecular dynamics simulation of the squarate anion in acetonitrile solution
Material Type:
Artigo 		Adicionar ao Meu Espaço

Molecular dynamics simulation of the squarate anion in acetonitrile solution

Ary de Oliveira Cavalcante Sergio Minoru Urahata; Mauro Carlos Costa Ribeiro

Physical Chemistry Chemical Physics Cambridge v. 6, n. 11, p. 2956-2961, 2004

Cambridge 2004

Item não circula. Consulte sua biblioteca.(Acessar)

3
Computer simulation of liquid tetramethylurea and its aqueous solution
Computer simulation of liquid tetramethylurea and its aqueous solution
Material Type:
Artigo 		Adicionar ao Meu Espaço

Computer simulation of liquid tetramethylurea and its aqueous solution

Paulo Belletato Luiz Carlos Gomide Freitas; Elizabeth Pinheiro Gomes Arêas; Paulo Sérgio Santos

Physical Chemistry Chemical Physics London v. 1, n. 20, p. 4769-4776, 1999

London 1999

Item não circula. Consulte sua biblioteca.(Acessar)

4
Molecular dynamics simulation of the squarate anion in acetonitrile solution
Molecular dynamics simulation of the squarate anion in acetonitrile solution
Material Type:
Artigo 		Adicionar ao Meu Espaço

Molecular dynamics simulation of the squarate anion in acetonitrile solution

Ary de Oliveira Cavalcante Sergio Minoru Urahata; Mauro Carlos Costa Ribeiro

Physical Chemistry Chemical Physics Cambridge v. 6, n. 11, p. 2956-2961, 2004

Cambridge 2004

Item não circula. Consulte sua biblioteca.(Acessar)

5
Molecular dynamics simulation of molten LiNO3 with flexible and polarizable anions
Molecular dynamics simulation of molten LiNO3 with flexible and polarizable anions
Material Type:
Artigo 		Adicionar ao Meu Espaço

Molecular dynamics simulation of molten LiNO3 with flexible and polarizable anions

Sergio Minoru Urahata Mauro Carlos Costa Ribeiro

Physical Chemistry Chemical Physics London v. 5, n. 12, p. 2619-2624, 2003

London 2003

Item não circula. Consulte sua biblioteca.(Acessar)

6
Molecular dynamics simulation of molten LiNO3 with flexible and polarizable anions
Molecular dynamics simulation of molten LiNO3 with flexible and polarizable anions
Material Type:
Artigo 		Adicionar ao Meu Espaço

Molecular dynamics simulation of molten LiNO3 with flexible and polarizable anions

Sergio Minoru Urahata Mauro Carlos Costa Ribeiro

Physical Chemistry Chemical Physics London v. 5, n. 12, p. 2619-2624, 2003

London 2003

Item não circula. Consulte sua biblioteca.(Acessar)

7
Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems a TDDFT and CASPT2 comparison
Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems a TDDFT and CASPT2 comparison
Material Type:
Artigo 		Adicionar ao Meu Espaço

Simulation of charge-transfer, UV-VIS and resonance Raman spectra of push–pull systems a TDDFT and CASPT2 comparison

Adalberto Vasconcelos Sanches de Araújo Leandro Ramos Marques; Antonio Carlos Borin; Rômulo Augusto Ando

Physical Chemistry Chemical Physics Cambridge v. 24, n. 46, p. 28522-28529, 2022

Cambridge 2022

Item não circula. Consulte sua biblioteca.(Acessar)

8
DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate
DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate
Material Type:
Artigo 		Adicionar ao Meu Espaço

DFT and ab initio molecular dynamics simulation study of the infrared spectrum of the protic ionic liquid 2-hydroxyethylammonium formate

Vitor Hugo Paschoal Mauro Carlos Costa Ribeiro

Physical Chemistry Chemical Physics Cambridge v. 25, n. 39, p. 26475-26485, 2023

Cambridge 2023

Item não circula. Consulte sua biblioteca.(Acessar)

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Deste Autor:

  1. Ribeiro, M
  2. Urahata, S
  3. Cavalcante, A
  4. Freitas, L
  5. Belletato, P

Neste Assunto:

  1. Físico-Química
  2. Química Teórica
  3. Espectroscopia Molecular
  4. Polarização
  5. Dinâmica

  • Realização: ABCD-USP USP   Logos de Redes Sociais: Freepik

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