Ab initio configuration interaction and random phase approximation calculations of the excited singlet and triplet states of uracil and cytosine

James D. Petke; Gerald M. Maggiora; Ralph E. Christoffersen

doi:10.1021/j100196a027

Ab initio configuration interaction and random phase approximation calculations of the excited singlet and triplet states of uracil and cytosine

The Journal of Physical Chemistry ◽

10.1021/j100196a027 ◽

1992 ◽

Vol 96 (17) ◽

pp. 6992-7001 ◽

Cited By ~ 19

Author(s):

James D. Petke ◽

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Random Phase Approximation ◽

Random Phase ◽

Triplet States ◽

Phase Approximation ◽

Excited Singlet ◽

Singlet And Triplet States

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ChemInform Abstract: Ab initio Configuration Interaction and Random Phase Approximation Calculations of the Excited Singlet and Triplet States of Adenine and Guanine

ChemInform ◽

10.1002/chin.199042321 ◽

1990 ◽

Vol 21 (42) ◽

Author(s):

J. D. PETKE ◽

G. M. MAGGIORA ◽

R. E. CHRISTOFFERSEN

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Random Phase Approximation ◽

Random Phase ◽

Triplet States ◽

Phase Approximation ◽

Excited Singlet ◽

Singlet And Triplet States

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Ab initio configuration interaction and random phase approximation calculations of the excited singlet and triplet states of adenine and guanine

Journal of the American Chemical Society ◽

10.1021/ja00170a008 ◽

1990 ◽

Vol 112 (14) ◽

pp. 5452-5460 ◽

Cited By ~ 26

Author(s):

James D. Petke ◽

Gerald M. Maggiora ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Random Phase Approximation ◽

Random Phase ◽

Triplet States ◽

Phase Approximation ◽

Excited Singlet ◽

Singlet And Triplet States

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS—VI. AB INITIO CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND AND LOWER EXCITED SINGLET AND TRIPLET STATES OF ETHYL BACTERIOCHLOROPHYLLIDE-a AND ETHYL BACTERIOPHEOPHORBIDE-a

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1980.tb03780.x ◽

1980 ◽

Vol 32 (3) ◽

pp. 399-414 ◽

Cited By ~ 49

Author(s):

J. D. Petke ◽

Gerald M. Maggiora ◽

Lester L. Shipman ◽

Ralph E. Christoffersen

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Triplet States ◽

Excited Singlet ◽

Singlet And Triplet States ◽

Stereoelectronic Properties ◽

Configuration Interaction Calculations

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STEREOELECTRONIC PROPERTIES OF PHOTOSYNTHETIC AND RELATED SYSTEMS — V. AB INITIO CONFIGURATION INTERACTION CALCULATIONS ON THE GROUND AND LOWER EXCITED SINGLET AND TRIPLET STATES OF ETHYL CHLOROPHYLLIDE a AND ETHYL PHEOPHORBIDE a

Photochemistry and Photobiology ◽

10.1111/j.1751-1097.1979.tb07138.x ◽

1979 ◽

Vol 30 (2) ◽

pp. 203-223 ◽

Cited By ~ 70

Author(s):

J. D. Petke ◽

Gerald M. Maggiora ◽

Lester Shipman ◽

Ralph E. CHRISTOFFERSEN

Keyword(s):

Ab Initio ◽

Configuration Interaction ◽

Triplet States ◽

Pheophorbide A ◽

Excited Singlet ◽

Singlet And Triplet States ◽

Stereoelectronic Properties ◽

Configuration Interaction Calculations

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Ab initio phase diagram of PbSe crystals calculated with the random phase approximation

Physical Review B ◽

10.1103/physrevb.98.144103 ◽

2018 ◽

Vol 98 (14) ◽

Author(s):

Tobias Schäfer ◽

Zhaochuan Fan ◽

Michael Grünwald ◽

Georg Kresse

Keyword(s):

Phase Diagram ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation

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Application of the configuration-interaction method and the random phase approximation to theAb Initio calculation of electronic excitation energies of H2o

International Journal of Quantum Chemistry ◽

10.1002/qua.560070416 ◽

1973 ◽

Vol 7 (4) ◽

pp. 807-817 ◽

Cited By ~ 20

Author(s):

Donald G. Truhlar

Keyword(s):

Configuration Interaction ◽

Random Phase Approximation ◽

Electronic Excitation ◽

Random Phase ◽

Phase Approximation ◽

Interaction Method ◽

Configuration Interaction Method ◽

Excitation Energies

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ChemInform Abstract: An ab Initio Random Phase Approximation Study of the Excited-State Intramolecular-Proton Transfer in 3-Hydroxychromone.

Chemischer Informationsdienst ◽

10.1002/chin.198605069 ◽

1986 ◽

Vol 17 (5) ◽

Author(s):

T. D. BOUMAN ◽

M. A. KNOBELOCH ◽

S. BOHAN

Keyword(s):

Excited State ◽

Proton Transfer ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Intramolecular Proton Transfer ◽

Phase Approximation

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An ab initio random phase approximation study of the excited-state intramolecular proton transfer in 3-hydroxychromone

The Journal of Physical Chemistry ◽

10.1021/j100267a012 ◽

1985 ◽

Vol 89 (21) ◽

pp. 4460-4464 ◽

Cited By ~ 13

Author(s):

Thomas D. Bouman ◽

Michael A. Knobeloch ◽

Steve Bohan

Keyword(s):

Excited State ◽

Proton Transfer ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Intramolecular Proton Transfer ◽

Phase Approximation

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AB initio calculations of oscillator and rotatory strengths in the random-phase approximation: planar and twisted butadiene

Chemical Physics Letters ◽

10.1016/0009-2614(78)80414-x ◽

1978 ◽

Vol 53 (1) ◽

pp. 160-164 ◽

Cited By ~ 9

Author(s):

Thomas D. Bouman ◽

Aage E. Hansen

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation

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ChemInform Abstract: OPTICAL ACTIVITY OF SATURATED KETONES. AB INITIO LOCALIZED ORBITAL ANALYSIS OF A MODEL KETONE IN THE RANDOM-PHASE APPROXIMATION

Chemischer Informationsdienst ◽

10.1002/chin.197919041 ◽

1979 ◽

Vol 10 (19) ◽

Author(s):

T. D. BOUMAN ◽

B. VOIGT ◽

A. E. HANSEN

Keyword(s):

Ab Initio ◽

Optical Activity ◽

Random Phase Approximation ◽

Random Phase ◽

Phase Approximation ◽

Localized Orbital ◽

Orbital Analysis

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