Density Functional Theory Study of the Conformational Space of Phenyl Benzoate, a Common Fragment in Many Mesogenic Molecules

Giorgio Cinacchi; Giacomo Prampolini

doi:10.1021/jp050102h

Density Functional Theory Study of the Conformational Space of Phenyl Benzoate, a Common Fragment in Many Mesogenic Molecules

The Journal of Physical Chemistry A ◽

10.1021/jp050102h ◽

2005 ◽

Vol 109 (28) ◽

pp. 6290-6293 ◽

Cited By ~ 9

Author(s):

Giorgio Cinacchi ◽

Giacomo Prampolini

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Conformational Space ◽

Density Functional Theory Study ◽

Phenyl Benzoate ◽

Functional Theory ◽

Common Fragment

Density functional theory study of the conformational space of an infinitely long polypeptide chain

The Journal of Chemical Physics ◽

10.1063/1.3207815 ◽

2009 ◽

Vol 131 (8) ◽

pp. 085104 ◽

Cited By ~ 15

Author(s):

Joel Ireta ◽

Matthias Scheffler

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Polypeptide Chain ◽

Conformational Space ◽

Density Functional Theory Study ◽

Functional Theory

Searching the Conformational Space of Cyclic Molecules: A Molecular Mechanics and Density Functional Theory Study of 9-Crown-3

The Journal of Physical Chemistry A ◽

10.1021/jp991201w ◽

1999 ◽

Vol 103 (50) ◽

pp. 10993-10997 ◽

Cited By ~ 12

Author(s):

B. Jagannadh ◽

Jagarlapudi A. R. P. Sarma

Keyword(s):

Density Functional Theory ◽

Molecular Mechanics ◽

Density Functional ◽

Conformational Space ◽

Density Functional Theory Study ◽

Functional Theory ◽

Cyclic Molecules

Exploration of the Full Conformational Space ofN-Acetyl-l-glutamine-N-methylamide. An ab Initio and Density Functional Theory Study

The Journal of Physical Chemistry A ◽

10.1021/jp030111v ◽

2003 ◽

Vol 107 (25) ◽

pp. 5079-5091 ◽

Cited By ~ 20

Author(s):

Marco W. Klipfel ◽

Miguel A. Zamora ◽

Ana M. Rodriguez ◽

Noemí G. Fidanza ◽

Ricardo D. Enriz ◽

...

Keyword(s):

Density Functional Theory ◽

Ab Initio ◽

Density Functional ◽

Conformational Space ◽

Density Functional Theory Study ◽

Functional Theory

Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

Chinese Journal of Chemical Physics ◽

10.1063/1674-0068/26/01/35-42 ◽

2013 ◽

Vol 26 (1) ◽

pp. 35-42 ◽

Cited By ~ 10

Author(s):

Peng Wang ◽

Ming‐xia Yang ◽

Sheng‐li Zhang ◽

Shi‐ping Huang ◽

Hui‐ping Tian

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic And Magnetic Properties ◽

Mn Doped

Nitrotyrosine adsorption on carbon nanotube: a density functional theory study

Indian Journal of Physics ◽

10.1007/s12648-013-0438-6 ◽

2014 ◽

Vol 88 (5) ◽

pp. 483-487 ◽

Cited By ~ 15

Author(s):

R. Majidi ◽

A. R. Karami

Keyword(s):

Density Functional Theory ◽

Carbon Nanotube ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory