Quantum mechanical studies of methyl bromoperoxide isomers and the CH3O + BrO reaction

Physical Chemistry Chemical Physics ◽

10.1039/b302666n ◽

2003 ◽

Vol 5 (14) ◽

pp. 2976-2980 ◽

Author(s):

Demetrios K. Papayannis ◽

Vasilios S. Melissas ◽

Agnie M. Kosmas

Keyword(s):

Quantum Mechanical ◽

Mechanical Studies

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Quantum Mechanical Studies of Charge-Transfer States in Porphyrin Heterodimers

ACS Symposium Series - Porphyrins ◽

10.1021/bk-1986-0321.ch002 ◽

1986 ◽

pp. 20-50 ◽

Author(s):

James D. Petke ◽

Gerald M. Maggiora

Keyword(s):

Charge Transfer ◽

Quantum Mechanical ◽

Mechanical Studies

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Quantum mechanical/molecular mechanical studies of photophysical properties of fluorescent proteins

Wiley Interdisciplinary Reviews Computational Molecular Science ◽

10.1002/wcms.1557 ◽

2021 ◽

Author(s):

Maria Rossano‐Tapia ◽

Alex Brown

Keyword(s):

Fluorescent Proteins ◽

Photophysical Properties ◽

Quantum Mechanical ◽

Mechanical Studies

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Quantum-Mechanical Studies on Oxidation Potentials and Antioxidizing Action of Phenolic Compounds.

The Journal of Physical Chemistry ◽

10.1021/j150581a034 ◽

1959 ◽

Vol 63 (11) ◽

pp. 1940-1948 ◽

Author(s):

Takayuki Fueno ◽

Taikyue Ree ◽

Henry Eyring

Keyword(s):

Phenolic Compounds ◽

Quantum Mechanical ◽

Oxidation Potentials ◽

Mechanical Studies

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The role of self-consistency in quantum-mechanical studies of disordered quasi-one-dimensional systems

Chemical Physics ◽

10.1016/0301-0104(84)85154-x ◽

1984 ◽

Vol 86 (1-2) ◽

pp. 41-48 ◽

Author(s):

B. Gazdy ◽

M. Seel ◽

J. Ladik

Keyword(s):

Quantum Mechanical ◽

One Dimensional ◽

Self Consistency ◽

Mechanical Studies

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Quantum-mechanical studies of environmental effects on biomolecules VI.Ab initio Studies on the hydration scheme of the phosphate group

Theoretica Chimica Acta ◽

10.1007/bf01135881 ◽

1975 ◽

Vol 40 (2) ◽

pp. 93-111 ◽

Author(s):

Bernard Pullman ◽

Alberte Pullman ◽

Hélène Berthod ◽

Nouhad Gresh

Keyword(s):

Environmental Effects ◽

Phosphate Group ◽

Quantum Mechanical ◽

Mechanical Studies

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Quantum mechanical studies on neuropeptides: conformation of C-terminal tetra- and pentapeptides of tachykinins

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)04323-3 ◽

1996 ◽

Vol 361 (1-3) ◽

pp. 243-248

Author(s):

Anil Saran ◽

D.R. Shukla ◽

Sudha Mahajan Cowsik

Keyword(s):

Quantum Mechanical ◽

Mechanical Studies

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SPECTROSCOPIC, THERMODYNAMIC AND QUANTUM MECHANICAL STUDIES ON SOLVATOCHROMIC MIXED LIGAND COPPER(II)-CHELATES

Journal of Coordination Chemistry ◽

10.1080/00958979308037432 ◽

1993 ◽

Vol 29 (4) ◽

pp. 265-276 ◽

Author(s):

Wolfgang Linert ◽

Ali Taha

Keyword(s):

Mixed Ligand ◽

Quantum Mechanical ◽

Mechanical Studies

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Proper basis set for quantum mechanical studies of potential energy surfaces of carbohydrates

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(02)00096-9 ◽

2002 ◽

Vol 584 (1-3) ◽

pp. 1-4 ◽

Author(s):

G.I. Csonka

Keyword(s):

Potential Energy ◽

Potential Energy Surfaces ◽

Basis Set ◽

Quantum Mechanical ◽

Energy Surfaces ◽

Mechanical Studies

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Quantum mechanical studies on the singlet and triplet potential energy surface of the reactions CF3O2 + I, CF3O + OI and CF3 + OIO

Molecular Physics ◽

10.1080/00268976.2017.1377850 ◽

2017 ◽

Vol 116 (2) ◽

pp. 212-221

Author(s):

Evangelos Drougas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Energy Surface ◽

Quantum Mechanical ◽

Mechanical Studies

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Quantum-mechanical studies on the conformational and electronic properties of steroids

Theoretica Chimica Acta ◽

10.1007/bf00528573 ◽

1970 ◽

Vol 17 (5) ◽

pp. 377-383 ◽

Author(s):

Jacqueline Caillet ◽

Bernard Pullman

Keyword(s):

Electronic Properties ◽

Quantum Mechanical ◽

Mechanical Studies

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