Conformational analysis of dimethylbis(methyldithiocarbonato)stannum(IV) revisited: Application of cluster method, dispersion and counterpoise corrections

Physica B Condensed Matter ◽

10.1016/j.physb.2014.02.018 ◽

2014 ◽

Vol 441 ◽

pp. 107-113

Author(s):

Lee Sin Ang ◽

Shukri Sulaiman ◽

Bing Chuan Chua ◽

Mohamed Ismail Mohamed-Ibrahim

Keyword(s):

Conformational Analysis ◽

Cluster Method ◽

Counterpoise Corrections

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Perturbation Improved Natural Linear-Scaled Coupled-Cluster Method and Its Application to Conformational Analysis

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.8b07947 ◽

2018 ◽

Vol 123 (1) ◽

pp. 371-381

Author(s):

Yifan Jin ◽

Rodney J. Bartlett

Keyword(s):

Conformational Analysis ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Conformational analysis of 1,2:3,4-di-O-isopropylidene-α-?-galacto-octopyranose derivatives: A 1H- and 13C-n.m.r.-spectral and x-ray comparative study

Carbohydrate Research ◽

10.1016/s0008-6215(00)85108-3 ◽

1980 ◽

Vol 78 (2) ◽

pp. 29-37

Author(s):

K R. Pachler

Keyword(s):

Comparative Study ◽

Conformational Analysis ◽

X Ray

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Crystal structures of (±)-1,4-di-O-benzoyl-2,3-O-isopropylidene-myo-inositol and (±)-1,4-di-O-benzoyl-5,6-O-isopropylidene-myo-inositol: a conformational analysis

Carbohydrate Research ◽

10.1016/s0008-6215(96)00228-5 ◽

1996 ◽

Vol 295 (1-4) ◽

pp. 1-6

Author(s):

C Sung-Kee

Keyword(s):

Conformational Analysis ◽

Crystal Structures

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The relativistic coupled-cluster method: transition energies of bismuth and eka-bismuth

Molecular Physics ◽

10.1080/00268979809482306 ◽

1998 ◽

Vol 94 (1) ◽

pp. 181-187 ◽

Cited By ~ 26

Author(s):

EPHRAIM ELIAV ◽

UZI KALDOR ◽

YASUYUKI ISHIKAWA

Keyword(s):

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method ◽

Transition Energies

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Conformational analysis of liquid dimethyl carbonate by molecular dynamics calculations

Molecular Physics ◽

10.1080/00268979809482199 ◽

1998 ◽

Vol 93 (1) ◽

pp. 153-158 ◽

Cited By ~ 7

Author(s):

OKIMASA OKADA

Keyword(s):

Molecular Dynamics ◽

Conformational Analysis ◽

Dimethyl Carbonate ◽

Molecular Dynamics Calculations

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Unitary group based open-shell coupled cluster method with corrections for connected triexcited clusters. II. Applications

Molecular Physics ◽

10.1080/00268979809482293 ◽

1998 ◽

Vol 94 (1) ◽

pp. 41-54 ◽

Cited By ~ 12

Author(s):

XIANGZHU LI ◽

JOSEF PALDUS

Keyword(s):

Unitary Group ◽

Open Shell ◽

Cluster Method ◽

Coupled Cluster ◽

Coupled Cluster Method

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Conformational Analysis of Cyclic Opioid Peptide Analogs

PsycEXTRA Dataset ◽

10.1037/e496552006-007 ◽

1988 ◽

Author(s):

Peter W. Schiller ◽

Brian C. Wilkes

Keyword(s):

Conformational Analysis ◽

Opioid Peptide ◽

Peptide Analogs

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Conformational Analysis of Opioid Receptor-Selective Peptides Using Nuclear Magnetic Resonance and Theoretical Calculations

PsycEXTRA Dataset ◽

10.1037/e496242006-013 ◽

1991 ◽

Author(s):

Victor J. Hurby ◽

◽

Om Prakash ◽

Wieslaw Kazmierski ◽

Catherine Gehrig ◽

...

Keyword(s):

Nuclear Magnetic Resonance ◽

Magnetic Resonance ◽

Conformational Analysis ◽

Opioid Receptor ◽

Theoretical Calculations ◽

Nuclear Magnetic

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The scope and limitations of cyanide groups as direction labels for the conformational analysis of matrix-isolated molecules of low symmetry. Part 2: 3-Cyanophenyl azide and two conformationally restrained derivatives

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/s0584-8539(97)81428-6 ◽

1997 ◽

Vol 53 (2) ◽

pp. 141-150 ◽

Cited By ~ 1

Author(s):

I Dunkin

Keyword(s):

Conformational Analysis ◽

Conformationally Restrained ◽

Low Symmetry ◽

Isolated Molecules

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ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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