# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-02T19:28:22+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'The journal of physical chemistry letters') AND volume = 10 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"8000325","5.124","0.003","5.124","0.003","9.039","0.005","90","","90","","90","","237.3","0.2","295","2","295.15","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- C H6 I N -","- C H6 I N -","- C2 H12 I2 N2 -","2","0.125","","Wang, Ryan Taoran; Xu, Alex Fan; Chen, Jason Yuanzhe; Yang, Lory Wenjuan; Xu, Gu; Jarvis, Victoria; Britten, James F.","Reversing Organic-Inorganic Hybrid Perovskite Degradation in Water via pH and Hydrogen Bonds.","The journal of physical chemistry letters","2019","10","22","7245","7250","10.1021/acs.jpclett.9b02972","","","0.71073","MoKα","","0.0399","0.037","","","0.0952","0.0976","","","","","","1.16","","","","has coordinates,has disorder","246581","2020-10-21","18:00:00",""
"8000326","9.0182","0.0002","24.4582","0.0005","8.5723","0.0002","90","","116.569","0.003","90","","1691.11","0.08","100","0.02","100","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","caffeine:3-hydroxy-2-naphthoic acid","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0582","0.0467","","","0.1195","0.1247","","","","","","1.066","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000327","9.0479","0.0003","24.4512","0.0006","8.63","0.0003","90","","116.789","0.004","90","","1704.32","0.11","150","0.02","150","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0721","0.0511","","","0.1309","0.1404","","","","","","1.041","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000328","9.0743","0.0003","24.4428","0.0006","8.6752","0.0003","90","","117.006","0.004","90","","1714.36","0.11","200","0.02","200","0.02","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N5 O4 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.081","0.0539","","","0.1422","0.1536","","","","","","1.022","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000329","9.0145","0.0002","24.45","0.0005","8.565","0.0002","90","","116.585","0.003","90","","1688.17","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","caffeine:3-hydroxy-2-naphthoic acid","","","- C19 H18 N4 O5 -","- C19 H18 N4 O5 -","- C76 H72 N16 O20 -","4","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.057","0.034","","","","0.065","","","","","","1.366","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000330","7.3987","0.0002","7.8597","0.0002","13.983","0.0003","79.178","0.002","76.444","0.002","67.127","0.003","724.07","0.04","100","0.02","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0415","0.0362","","","0.097","0.1","","","","","","1.063","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000331","7.4335","0.0003","7.8619","0.0003","14.0401","0.0004","78.971","0.003","76.114","0.003","67.082","0.003","729.26","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0489","0.0405","","","0.1076","0.1128","","","","","","1.061","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000332","7.45886","0.00019","7.8664","0.0002","14.0846","0.0003","78.745","0.002","75.831","0.002","67.053","0.003","733.24","0.03","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0474","0.0393","","","0.1084","0.1131","","","","","","1.074","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000333","7.4144","0.0001","7.8692","0.0002","13.9978","0.0002","79.205","0.002","76.448","0.002","67.097","0.002","727.15","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","caffeine:3,5-pyrazoledicarboxylic acid","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.034","0.023","","","","0.053","","","","","","1.116","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000334","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0968","0.0582","","","0.1222","0.1382","","","","","","1.075","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000335","7.47","0.0003","7.83","0.0003","14.1","0.0008","78.2","0.004","75.3","0.004","66.7","0.004","727.61","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.0917","0.0537","","","0.1073","0.1212","","","","","","1.093","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000336","6.79266","0.00012","7.42265","0.00013","20.4135","0.0003","93.5078","0.0014","99.2464","0.0014","90.7721","0.0014","1013.68","0.03","100","0.02","100","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0432","0.0368","","","0.1046","0.1093","","","","","","1.025","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000337","6.80954","0.00016","7.4556","0.0002","20.4333","0.0005","93.733","0.002","99.374","0.002","90.457","0.002","1021.18","0.04","150","0.02","150","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0594","0.045","","","0.1197","0.1305","","","","","","1.027","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000338","6.8289","0.0002","7.4919","0.0002","20.4608","0.0005","94.001","0.002","99.524","0.003","90.156","0.003","1029.75","0.05","200","0.02","200","0.02","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0714","0.0487","","","0.1303","0.1418","","","","","","1.048","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000339","6.7952","0.0001","7.4236","0.0001","20.4083","0.0002","93.501","0.001","99.23","0.001","90.718","0.001","1014.01","0.02","100","2","100.01","0.13","","","","","","","","5","P -1","-P 1","2","theophylline:2,5-diflurobenzoic acid","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.048","0.026","","","","0.05","","","","","","1.085","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000340","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2262","0.0823","","","0.0957","0.127","","","","","","1.077","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000341","6.8745","0.0002","7.5733","0.0003","20.5303","0.0006","94.526","0.003","99.28","0.002","90.55","0.003","1051.31","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 F4 N4 O6 -","- C21 H16 F4 N4 O6 -","- C42 H32 F8 N8 O12 -","2","1","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.2277","0.0846","","","0.1004","0.1327","","","","","","1.086","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000342","3.80841","0.00013","8.3454","0.0003","8.5998","0.0003","81.922","0.003","80.362","0.003","85.796","0.003","266.446","0.016","100","0.02","100","0.02","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0407","0.0359","","","0.1064","0.1097","","","","","","1.065","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000343","3.84026","0.00019","8.3386","0.0004","8.6155","0.0005","82.02","0.004","80.617","0.004","86.006","0.004","269.25","0.02","150","0.02","150","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0434","0.0383","","","0.1161","0.1194","","","","","","1.067","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000344","3.87078","0.00013","8.3374","0.0003","8.6101","0.0003","82.173","0.003","80.895","0.003","86.179","0.003","271.521","0.017","200","0.02","200","0.02","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.0542","0.0456","","","0.1383","0.1454","","","","","","1.051","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000345","3.8078","0.0001","8.3463","0.0002","8.5971","0.0003","81.918","0.002","80.381","0.002","85.89","0.002","266.383","0.013","100","2","100","0.1","","","","","","","","4","P -1","-P 1","2","2,3,5,6-tetramethylpyrazine:oxalic acid","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","x-ray","0.71073","MoKα","","0.029","0.018","","","","0.044","","","","","","1.171","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000346","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.12","0.0778","","","0.1703","0.1924","","","","","","1.102","","","","has coordinates","246582","2020-10-21","18:00:00",""
"8000347","3.9491","0.0003","8.3309","0.0005","8.6409","0.0004","82.304","0.005","81.08","0.006","86.244","0.006","278.02","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","- C10 H14 N2 O4 -","1","0.5","","Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.","Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.","The journal of physical chemistry letters","2019","10","22","7224","7229","10.1021/acs.jpclett.9b02734","","","0.85","neutrons","","0.1044","0.0625","","","0.1432","0.1616","","","","","","1.196","","","","has coordinates,has disorder","246582","2020-10-21","18:00:00",""
"8000391","34.557","0.003","22.3796","0.0019","32.859","0.003","90","","90","","90","","25412","4","160","","160","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C216 H144 Cu25 F36 P12 -","- C216 H144 Cu25 F36 P12 -","- C864 H576 Cu100 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1692","0.0956","","","0.2458","0.2819","","","","","","0.984","","","","has coordinates","236666","2020-10-21","18:00:00",""
"8000392","34.5313","0.0012","22.4275","0.0009","32.5487","0.0014","90","","90","","90","","25207.4","1.7","170","","170","","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C216 H144 Au Cu24 F36 P12 -","- C216 H144 Au Cu24 F36 P12 -","- C864 H576 Au4 Cu96 F144 P48 -","4","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1369","0.0758","","","0.1897","0.2154","","","","","","0.94","","","","has coordinates","236668","2020-10-21","18:00:00",""
"8000393","33.383","0.0009","38.6374","0.0011","39.1118","0.001","90","","90","","90","","50448","2","161","","161","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C216 H180 Au Cu24 P12 -","- C216 H180 Au Cu24 P12 -","- C1728 H1440 Au8 Cu192 P96 -","8","1","","Chen, Along; Kang, Xi; Jin, Shan; Du, Wenjun; Wang, Shuxin; Zhu, Manzhou","Gram-Scale Preparation of Stable Hydride M@Cu<sub>24</sub> (M = Au/Cu) Nanoclusters.","The journal of physical chemistry letters","2019","10","20","6124","6128","10.1021/acs.jpclett.9b02297","","","0.71073","MoKα","","0.1036","0.0534","","","0.1259","0.1428","","","","","","0.97","","","","has coordinates","236670","2020-10-21","18:00:00",""
"8000394","35.5019","0.0005","16.1885","0.0002","33.0801","0.0005","90","","112.283","0.002","90","","17592.1","0.5","120","0.1","120","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C202 H181 N10 S -","- C202 H180.994 N10 S1.0064 -","- C808 H723.974 N40 S4.0256 -","4","0.5","","Zhou, Xuehong; Zhao, Manlin; Zhou, Jiadong; Liu, Linlin; Ma, Yuguang","Polarized Species in an Organic Semiconductor Laser.","The journal of physical chemistry letters","2019","10","24","7905","7909","10.1021/acs.jpclett.9b03198","","x-ray","1.54184","CuKα","","0.0568","0.0516","","","0.1528","0.1575","","","","","","1.031","","","","has coordinates,has disorder","246580","2020-10-21","18:00:00",""